methyl 5-(1-adamantyl)-2-hydroxybenzoate

CAS: 126145-52-6

Molecular Formula	`C18H22O3`
Molecular Weight	286.4 g/mol
LogP	5.4
Topological Polar Surface Area	46.5 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	3
Exact Mass	286.1569
Heavy Atoms	21
Complexity	389.0

Chemical Identifiers

CAS Number	126145-52-6
SMILES	`COC(=O)C1=C(C=CC(=C1)C23CC4CC(C2)CC(C4)C3)O`
InChIKey	`JFRMQGWZTDYHRK-UHFFFAOYSA-N`

📖 Product Overview

methyl 5-(1-adamantyl)-2-hydroxybenzoate (CAS: 126145-52-6) is a chemical compound with molecular formula C18H22O3 and molecular weight 286.4 g/mol. Its IUPAC systematic name is methyl 5-(1-adamantyl)-2-hydroxybenzoate. LogP 5.4 Topological Polar Surface Area 46.5 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 3 Exact Mass 286.1569 Heavy Atoms 21 Complexity 389.0 InChI Key: JFRMQGWZTDYHRK-UHFFFAOYSA-N. SMILES: COC(=O)C1=C(C=CC(=C1)C23CC4CC(C2)CC(C4)C3)O.

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