2-(6-Hydroxy-naphthalen-2-yl)-propionic acid methyl ester

HCID 598897

Notes Reactions

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Basic information

Standard SMILES: COC(=O)C(C)c1ccc2cc(O)ccc2c1
InChIKey: RKDCLWDNCOUHGF-UHFFFAOYSA-N
Molecular formula: C14H14O3
Average molar mass: 230.26 g/mol

Names & identifiers

Preferred name: 2-(6-Hydroxy-naphthalen-2-yl)-propionic acid methyl ester
IUPAC: methyl 2-(6-hydroxynaphthalen-2-yl)propanoate

Names & synonyms

61495-42-92-(6-Hydroxy-naphthalen-2-yl)-propionic acid methyl estermethyl 2-(6-hydroxynaphthalen-2-yl)propanoatemethyl 2-(6-hydroxy-2-naphthyl)propionateSCHEMBL555045SCHEMBL30892259DB-351783Methyl 2-(6-hydroxy-2-naphthyl)propanoate #methyl 6-hydroxy-2naphthyl-alpha-methylacetateH27865methyl 6-hydroxy-2-naphthyl-alpha-methylacetatemethyl 6-hydroxy-2-naphthyl-alpha -methylacetate

Show more names

2-(6-Hydroxynaphthyl)propionic acid, methyl esterA1-002532-(6-Hydroxynaphthalen-2-yl)-propionic acid methyl ester

Database identifiers

PubChem CID: 598897
Nikkaji: J2.452.485J

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 277

Related reactions

30 records

New reaction record

HRID 116586As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 183462As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 189604As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 296497As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 558028As productuspto-grants-2011_11

HRID 558029As reactantuspto-grants-2011_11

HRID 638700As productuspto-grants-2010_04

HRID 638702As reactantuspto-grants-2010_04

Compound notes

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