4-Methoxy-3,5-bis(3-methylbut-2-enyl)benzoic acid

HCID 185077

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Basic information

CAS: 91163-48-3
Standard SMILES: COc1c(CC=C(C)C)cc(C(=O)O)cc1CC=C(C)C
InChIKey: FCYRTWGJYYORNA-UHFFFAOYSA-N
Molecular formula: C18H24O3
Average molar mass: 288.4 g/mol
Monoisotopic mass: 288.17254462

Overview

4-Methoxy-3,5-bis(3-methylbut-2-enyl)benzoic acid has been reported in Piper hispidum and Piper aduncum with data available.

Names & identifiers

Preferred name: 4-Methoxy-3,5-bis(3-methylbut-2-enyl)benzoic acid
IUPAC: 4-methoxy-3,5-bis(3-methylbut-2-enyl)benzoic acid

Names & synonyms

4-methoxy-3,5-bis(3-methylbut-2-enyl)benzoic Acid91163-48-3DTXSID30238430RefChem:99585DTXCID50160921SCHEMBL39344294-Methoxy-3,5-diprenylbenzoesaure4-METHOXY-3,5-BIS(3-METHYLBUT-2-EN-1-YL)BENZOIC ACID

Database identifiers

CAS: 91163-48-3
PubChem CID: 185077
DTXSID: DTXSID30238430
Nikkaji: J579.552D

Properties

Computed structural properties

XLogP: 5.3
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 21
Formal charge: 0
Complexity: 371

Related reactions

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Compound notes

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