(3-Ethylphenyl)methanol

HCID 104659

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 53957-34-9
Standard SMILES: CCc1cccc(CO)c1
InChIKey: JBXKSUUBAYVELX-UHFFFAOYSA-N
Molecular formula: C9H12O
Average molar mass: 136.19 g/mol
Monoisotopic mass: 136.088815

Overview

See also: Benzenemethanol, ar-ethyl- (annotation moved to).

Names & identifiers

Preferred name: (3-Ethylphenyl)methanol
IUPAC: (3-ethylphenyl)methanol

Names & synonyms

(3-ethylphenyl)methanolDTXSID70968764RefChem:69121DTXCID20139633382657-69-03-ethylbenzyl alcohol3-Ethylbenzenemethanol53957-34-9MFCD09999852Benzenemethanol, 3-ethyl-3-Ethylphenylmethanolar-Ethylbenzenemethanol

Show more names

methylbenzylal-cohol(3-ethyl phenyl)methanolSCHEMBL283085SCHEMBL283086SCHEMBL6084119SCHEMBL16951566SCHEMBL19747987SCHEMBL30152263

Database identifiers

CAS: 53957-34-9
PubChem CID: 104659
DTXSID: DTXSID70968764
Nikkaji: J155.560J

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 90.7

Related reactions

8 records

New reaction record

HRID 324456As productuspto-grants-2001_04

HRID 1137940As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1275911As productuspto-grants-2000_12

HRID 1536876As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1871981As productuspto-grants-2000_08

HRID 1871982As reactantuspto-grants-2000_08

HRID 2045838As productuspto-grants-2013_11

HRID 2045839As reactantuspto-grants-2013_11

Compound notes

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