(2S)-2-Methoxy-3-(4-{3-[4-(1-methyl-1-phenyl-ethyl)-phenoxy]-prop-1-ynyl}-phenyl)-propionic acid

HCID 58822809
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Basic information

Standard SMILES
CO[C@@H](Cc1ccc(C#CCOc2ccc(C(C)(C)c3ccccc3)cc2)cc1)C(=O)O
InChIKey
AWZKAJCLCAITBA-SANMLTNESA-N
Molecular formula
C28H28O4
Average molar mass
428.5 g/mol

Names & identifiers

Preferred name
(2S)-2-Methoxy-3-(4-{3-[4-(1-methyl-1-phenyl-ethyl)-phenoxy]-prop-1-ynyl}-phenyl)-propionic acid
IUPAC
(2S)-2-methoxy-3-[4-[3-[4-(2-phenylpropan-2-yl)phenoxy]prop-1-ynyl]phenyl]propanoic acid

Names & synonyms

SCHEMBL5377110AWZKAJCLCAITBA-SANMLTNESA-N(2S)-2-Methoxy-3-(4-{3-[4-(1-methyl-1-phenyl-ethyl)-phenoxy]-prop-1-ynyl}-phenyl)-propionic acid

Database identifiers

PubChem CID
58822809

Properties

Computed structural properties

XLogP
6.3
Topological polar surface area
55.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
32

Related reactions

1 records
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Compound notes

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