CAS
898793-78-7 Purity
96%
898793-78-7 Purity
96%
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Cyclopentyl 2-(4-methoxyphenyl)ethyl ketone
CAS
898793-81-2
Catalog Number
ACM898793812
Category
Other Products
Molecular Weight
232.32545
Molecular Formula
C15H20O2
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Specification
Synonyms
CYCLOPENTYL 2-(4-METHOXYPHENYL)ETHYL KETONE, 898793-81-2, CTK5G7012, AKOS014783088, AG-H-67333
IUPAC Name
1-cyclopentyl-3-(4-methoxyphenyl)propan-1-one
Canonical SMILES
COC1=CC=C(C=C1)CCC(=O)C2CCCC2
InChI Key
HHXZORKTUMKTDE-UHFFFAOYSA-N
Exact Mass
232.14600
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of the compound Cyclopentyl 2-(4-methoxyphenyl)ethyl ketone?
The molecular formula is C15H20O2.
When was the compound first created and modified?
It was created on 2008-02-29 and modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name is 1-cyclopentyl-3-(4-methoxyphenyl)propan-1-one.
What is the computed InChI of the compound?
The InChI of the compound is InChI=1S/C15H20O2/c1-17-14-9-6-12(7-10-14)8-11-15(16)13-4-2-3-5-13/h6-7,9-10,13H,2-5,8,11H2,1H3.
What is the Canonical SMILES of the compound?
The Canonical SMILES is COC1=CC=C(C=C1)CCC(=O)C2CCCC2.
What is the molecular weight of the compound?
The molecular weight is 232.32 g/mol.
How many hydrogen bond acceptors does the compound have?
The compound has 2 hydrogen bond acceptors.
What is the rotatable bond count of the compound?
The compound has 5 rotatable bonds.
What is the topological polar surface area of the compound?
The topological polar surface area is 26.3 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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