2-Propen-1-one,3-(4-methoxyphenyl)-1-phenyl-

CAS

959-33-1

Catalog Number

ACM959331

Category

Other Products

Molecular Weight

238.28

Molecular Formula

C₁₆H₁₄O₂

MSDS COA Spec Sheet

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Specification

Synonyms

4-Methoxychalcone, Anisalacetophenone, Chalcone, 4-methoxy-, p-Methoxyphenyl styryl ketone, Phenyl p-methoxystyryl ketone, 4-Methoxybenzylideneacetophenone, CCRIS 2230, Chalcone, 4-methoxy- (8CI), EINECS 213-499-7, NSC 11866, CID94197, NSC11866, AI3-17319, 3-(4-Methoxyphenyl)-1-phenyl-2-propen-1-one, LS-188219, 2-Propen-1-one, 3-(4-methoxyphenyl)-1-phenyl-, 2-Propen-1-one, 3-(4-methoxyphenyl)-1-phenyl- (9CI), 959-33-1

IUPAC Name

3-(4-methoxyphenyl)-1-phenylprop-2-en-1-one

Canonical SMILES

COC1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2

InChI Key

XUFXKBJMCRJATM-UHFFFAOYSA-N

Boiling Point

397.3ºC at 760 mmHg

Melting Point

75-76ºC

Flash Point

180.4ºC

Density

1.114 g/cm³

Appearance

yellow Crystals

EC Number

213-499-7

Exact Mass

238.09900

Hazard Statements

Xi:Irritant;

H-Bond Acceptor

H-Bond Donor

Safety Description

S37

WGK Germany

What is the molecular formula of 4-Methoxychalcone?

The molecular formula of 4-Methoxychalcone is C16H14O2.

What is the molecular weight of 4-Methoxychalcone?

The molecular weight of 4-Methoxychalcone is 238.28 g/mol.

What are some synonyms for 4-Methoxychalcone?

Some synonyms for 4-Methoxychalcone include 959-33-1 and (E)-3-(4-methoxyphenyl)-1-phenylprop-2-en-1-one.

What is the IUPAC Name of 4-Methoxychalcone?

The IUPAC Name of 4-Methoxychalcone is (E)-3-(4-methoxyphenyl)-1-phenylprop-2-en-1-one.

What is the Canonical SMILES of 4-Methoxychalcone?

The Canonical SMILES of 4-Methoxychalcone is COC1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2.

What is the CAS number for 4-Methoxychalcone?

The CAS number for 4-Methoxychalcone is 22252-15-9.

How many hydrogen bond donor counts does 4-Methoxychalcone have?

4-Methoxychalcone has 0 hydrogen bond donor counts.

What is the topological polar surface area of 4-Methoxychalcone?

The topological polar surface area of 4-Methoxychalcone is 26.3 Å².

How many rotatable bond counts does 4-Methoxychalcone have?

4-Methoxychalcone has 4 rotatable bond counts.

What is the InChIKey of 4-Methoxychalcone?

The InChIKey of 4-Methoxychalcone is XUFXKBJMCRJATM-FMIVXFBMSA-N.

Upstream Synthesis Route 1

123-11-5
98-86-2

959-33-1

Reference: [1]Location in patent: experimental part
Krishnakumar; Velmurugan; Swaminathan
[Catalysis Communications, 2011, vol. 12, # 5, p. 375 - 379]

Downstream Synthesis Route 1

4392-54-5
959-33-1

71203-35-5

Reference: [1] Pharmazie, 1981, vol. 36, # 11, p. 754 - 756

Downstream Synthesis Route 2

17852-52-7
959-33-1

71203-35-5

Reference: [1] Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1988, vol. 27, # 1-12, p. 245 - 249

Downstream Synthesis Route 3

959-33-1

71203-35-5

Reference: [1] Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1988, vol. 27, # 1-12, p. 245 - 249

Downstream Synthesis Route 4

959-33-1

1669-49-4

Reference: [1]Shang, Jun-Yan; Li, Fei; Bai, Xing-Feng; Jiang, Jian-Xiong; Yang, Ke-Fang; Lai, Guo-Qiao; Xu, Li-Wen
[European Journal of Organic Chemistry, 2012, # 14, p. 2809 - 2815]

Downstream Synthesis Route 5

100-63-0
959-33-1

2574-33-6

Reference: [1]Location in patent: experimental part
Lin, Zhi-Ping; Li, Ji-Tai
[E-Journal of Chemistry, 2012, vol. 9, # 1, p. 267 - 271]

* For details of the synthesis route, please refer to the original source to ensure accuracy.