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Structure

[1-[(1-Phenylethyl)phenyl]ethyl]-m-xylene

CAS
94237-30-6
Catalog Number
ACM94237306
Category
Other Products
Molecular Weight
314.463240 [g/mol]
Molecular Formula
C24H26

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Specification

Synonyms
AC1O4FG5, [1-[ phenyl]ethyl]-m-xylene, 1-methyl-3-[2-[2-(1-phenylethyl)phenyl]propyl]benzene, 94237-30-6
IUPAC Name
1-methyl-3-[2-[2-(1-phenylethyl)phenyl]propyl]benzene
Canonical SMILES
CC1=CC(=CC=C1)CC(C)C2=CC=CC=C2C(C)C3=CC=CC=C3
InChI Key
CXDZHXRFPKYLPZ-UHFFFAOYSA-N
EC Number
304-127-5
H-Bond Acceptor
0
H-Bond Donor
0
What is the molecular formula of [1-[(1-Phenylethyl)phenyl]ethyl]-m-xylene?

The molecular formula is C24H26.

What is the molecular weight of [1-[(1-Phenylethyl)phenyl]ethyl]-m-xylene?

The molecular weight is 314.5 g/mol.

What is the IUPAC name of [1-[(1-Phenylethyl)phenyl]ethyl]-m-xylene?

The IUPAC name is 1-methyl-3-[2-[2-(1-phenylethyl)phenyl]propyl]benzene.

What is the InChI code of [1-[(1-Phenylethyl)phenyl]ethyl]-m-xylene?

The InChI code is InChI=1S/C24H26/c1-18-10-9-11-21(16-18)17-19(2)23-14-7-8-15-24(23)20(3)22-12-5-4-6-13-22/h4-16,19-20H,17H2,1-3H3.

What is the InChIKey of [1-[(1-Phenylethyl)phenyl]ethyl]-m-xylene?

The InChIKey is CXDZHXRFPKYLPZ-UHFFFAOYSA-N.

What is the canonical SMILES of [1-[(1-Phenylethyl)phenyl]ethyl]-m-xylene?

The canonical SMILES is CC1=CC(=CC=C1)CC(C)C2=CC=CC=C2C(C)C3=CC=CC=C3.

What is the CAS number of [1-[(1-Phenylethyl)phenyl]ethyl]-m-xylene?

The CAS number is 94237-30-6.

What is the EC number of [1-[(1-Phenylethyl)phenyl]ethyl]-m-xylene?

The EC number is 304-127-5.

What is the XLogP3-AA value of [1-[(1-Phenylethyl)phenyl]ethyl]-m-xylene?

The XLogP3-AA value is 7.1.

Is [1-[(1-Phenylethyl)phenyl]ethyl]-m-xylene a canonicalized compound?

Yes, it is a canonicalized compound.

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