(2E)-3-{4-Methoxy-3-[(2-methylphenoxy)methyl]phenyl}acrylic acid

HCID 843232

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Basic information

CAS: 512809-89-1
Standard SMILES: COc1ccc(C=CC(=O)O)cc1COc1ccccc1C
InChIKey: FOMRZDQEPYLFFG-UHFFFAOYSA-N
Molecular formula: C18H18O4
Average molar mass: 298.3 g/mol
Monoisotopic mass: 298.12050905

Names & identifiers

Preferred name: (2E)-3-{4-Methoxy-3-[(2-methylphenoxy)methyl]phenyl}acrylic acid
IUPAC: 3-[4-methoxy-3-[(2-methylphenoxy)methyl]phenyl]prop-2-enoic acid

Names & synonyms

3-[4-methoxy-3-[(2-methylphenoxy)methyl]phenyl]prop-2-enoic Acid3-{4-methoxy-3-[(2-methylphenoxy)methyl]phenyl}prop-2-enoic acid(2E)-3-{4-METHOXY-3-[(2-METHYLPHENOXY)METHYL]PHENYL}ACRYLIC ACIDDTXSID701166256AKOS030254142

Database identifiers

CAS: 512809-89-1
PubChem CID: 843232
DTXSID: DTXSID701166256

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 55.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 22
Formal charge: 0
Complexity: 379

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