3-(4-(3-Butyl-2-phenylnaphthalen-1-yloxy)phenyl)acrylic acid

HCID 44580025

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Basic information

Standard SMILES: CCCCc1cc2ccccc2c(Oc2ccc(/C=C/C(=O)O)cc2)c1-c1ccccc1
InChIKey: LYWRTXURSKLWCG-KNTRCKAVSA-N
Molecular formula: C29H26O3
Average molar mass: 422.5 g/mol

Names & identifiers

Preferred name: 3-(4-(3-Butyl-2-phenylnaphthalen-1-yloxy)phenyl)acrylic acid
IUPAC: (E)-3-[4-(3-butyl-2-phenylnaphthalen-1-yl)oxyphenyl]prop-2-enoic acid

Names & synonyms

CHEMBL491235SCHEMBL3168086LYWRTXURSKLWCG-KNTRCKAVSA-NBDBM502646923-(4-(3-butyl-2-phenylnaphthalen-1-yloxy)phenyl)acrylic acid(2E)-3-{4-[(3-Butyl-2-phenyl-1-naphthalenyl)oxy]phenyl}-2-propenoic acid

Database identifiers

PubChem CID: 44580025
ChEMBL: CHEMBL491235

Properties

Computed structural properties

XLogP: 8.2
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 32
Formal charge: 0
Complexity: 600

Related reactions

1 records

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HRID 1992942As productuspto-grants-2010_01

Compound notes

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