Methyl 2-hydroxy-5-tricyclo(3.3.1.13,7)dec-1-ylbenzoate

HCID 64602

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Basic information

CAS: 126145-52-6
Standard SMILES: COC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O
InChIKey: JFRMQGWZTDYHRK-UHFFFAOYSA-N
Molecular formula: C18H22O3
Average molar mass: 286.4 g/mol
Monoisotopic mass: 286.15689456

Names & identifiers

Preferred name: Methyl 2-hydroxy-5-tricyclo(3.3.1.13,7)dec-1-ylbenzoate
IUPAC: methyl 5-(1-adamantyl)-2-hydroxybenzoate
English name: METHYL 3-ADAMANTAN-1-YL-6-HYDROXYBENZOATE
Molecular formula: C18H22O3
Molecular weight: 286.37

Names & synonyms

126145-52-6Benzoic acid, 2-hydroxy-5-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-, methyl esterDTXSID70155091Methyl 2-hydroxy-5-tricyclo[3.3.1.13,7]dec-1-ylbenzoateMethyl 2-hydroxy-5-tricyclo(3.3.1.13,7)dec-1-ylbenzoateRefChem:1089335DTXCID8077582Methyl 5-(1-adamantyl)-2-hydroxybenzoateMETHYL 5-(ADAMANTAN-1-YL)-2-HYDROXYBENZOATEMETHYL 3-ADAMANTAN-1-YL-6-HYDROXYBENZOATEBRN 4263319Methyl 5-(adamantyl-1)salicylate

Show more names

Benzoic acid, 2-hydroxy-5-tricyclo[3.3.1.13,7]dec-1-yl-, methyl ester

Methyl 2-hydroxy-5-tricyclo(3.3.1.1(sup 3,7))dec-1-ylbenzoateOprea1_052304AKOS BBV-004076JFRMQGWZTDYHRK-UHFFFAOYSA-NAKOS000124950NCGC00341352-015-(Adamantyl-1)salicylic acid, methyl esterMethyl 5-(1-adamantyl)-2-hydroxybenzoate #

Database identifiers

CAS: 126145-52-6
PubChem CID: 64602
DTXSID: DTXSID70155091

Properties

Computed structural properties

XLogP: 5.4
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: 389

Chemistry & industry

Suppliers2 total

珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]

济南思考化学有限公司0531-0000 · [email protected]

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