(2-Methoxyphenoxy)(phenyl)acetic acid

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Basic information

CAS: 53498-61-6
Standard SMILES: COc1ccccc1OC(C(=O)O)c1ccccc1
InChIKey: LXLIMXAIDZLLPW-UHFFFAOYSA-N
Molecular formula: C15H14O4
Average molar mass: 258.27 g/mol
Monoisotopic mass: 258.08920893

Names & identifiers

Preferred name: (2-Methoxyphenoxy)(phenyl)acetic acid
IUPAC: 2-(2-methoxyphenoxy)-2-phenylacetic acid

Names & synonyms

53498-61-6DTXSID90968226(2-methoxyphenoxy)(phenyl)acetic acidRefChem:1049707DTXCID701395811(o-Methoxyphenoxy)phenylacetic acid2-(2-methoxyphenoxy)-2-phenylacetic acidACETIC ACID, (o-METHOXYPHENOXY)PHENYL-Acide (o-methoxyphenoxy)phenylacetique [French]Acide (o-methoxyphenoxy)phenylacetiqueSCHEMBL11397979SBB076892

Show more names

AKOS000165239A1-64281

Database identifiers

CAS: 53498-61-6
PubChem CID: 40788
DTXSID: DTXSID90968226

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 55.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 19
Formal charge: 0
Complexity: 286

Related reactions

1 records

New reaction record

HRID 86486As productAs reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Compound notes

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