(3S)-3-[4-(2-Methyl-benzyloxy)-phenyl]-hex-4-ynoic acid methyl ester

HCID 68676002
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Basic information

Standard SMILES
CC#C[C@@H](CC(=O)OC)c1ccc(OCc2ccccc2C)cc1
InChIKey
GQILIRGBEVNACM-SFHVURJKSA-N
Molecular formula
C21H22O3
Average molar mass
322.4 g/mol

Names & identifiers

Preferred name
(3S)-3-[4-(2-Methyl-benzyloxy)-phenyl]-hex-4-ynoic acid methyl ester
IUPAC
methyl (3S)-3-[4-[(2-methylphenyl)methoxy]phenyl]hex-4-ynoate

Names & synonyms

SCHEMBL3523644GQILIRGBEVNACM-SFHVURJKSA-N(3S)-3-[4-(2-Methyl-benzyloxy)-phenyl]-hex-4-ynoic acid methyl ester

Database identifiers

PubChem CID
68676002

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
24

Related reactions

2 records
New reaction record

Compound notes

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