Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 3-(4-hydroxyphenyl)-, methyl ester

HCID 64604

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Basic information

CAS: 126164-66-7
Standard SMILES: COC(=O)C12CC3CC(C1)CC(c1ccc(O)cc1)(C3)C2
InChIKey: ACUWZNKUALBCHV-UHFFFAOYSA-N
Molecular formula: C18H22O3
Average molar mass: 286.4 g/mol
Monoisotopic mass: 286.15689456

Names & identifiers

Preferred name: Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 3-(4-hydroxyphenyl)-, methyl ester
IUPAC: methyl 3-(4-hydroxyphenyl)adamantane-1-carboxylate

Names & synonyms

126164-66-7Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 3-(4-hydroxyphenyl)-, methyl esterRefChem:1100361Methyl 3-(4-hydroxyphenyl)adamantanecarboxylatemethyl 3-(4-hydroxyphenyl)adamantane-1-carboxylateBRN 4263292Methyl 3-(4-hydroxyphenyl)tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylateDTXSID70925433

Database identifiers

CAS: 126164-66-7
PubChem CID: 64604
DTXSID: DTXSID70925433

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 422

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