4'-Hydroxy-biphenyl-3-carboxylic acid ethyl ester

HCID 4156992

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCOC(=O)c1cccc(-c2ccc(O)cc2)c1
InChIKey: KANJMAYCVZVTER-UHFFFAOYSA-N
Molecular formula: C15H14O3
Average molar mass: 242.27 g/mol

Names & identifiers

Preferred name: 4'-Hydroxy-biphenyl-3-carboxylic acid ethyl ester
IUPAC: ethyl 3-(4-hydroxyphenyl)benzoate

Names & synonyms

CHEMBL4797823Oprea1_659875SCHEMBL2771575KANJMAYCVZVTER-UHFFFAOYSA-NBDBM50560084ethyl 4'-hydroxy-1,1'-biphenyl-3-carboxylate4'-Hydroxy-biphenyl-3-carboxylic acid ethyl esterSR-01000446516SR-01000446516-1

Database identifiers

PubChem CID: 4156992
ChEMBL: CHEMBL4797823

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 269

Related reactions

8 records

New reaction record

HRID 494867As productuspto-grants-2009_05

HRID 494868As reactantuspto-grants-2009_05

HRID 678734As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1064759As productuspto-grants-2005_11

HRID 1064760As reactantuspto-grants-2005_11

HRID 1229515As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1560417As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2261764As productuspto-grants-2010_12

Compound notes

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