1-Phenoxyethan-1-ol

Substructure search Find similar structures

Basic information

CAS: 56101-99-6
Standard SMILES: CC(O)Oc1ccccc1
InChIKey: XEFAJZOBODPHBG-UHFFFAOYSA-N
Molecular formula: C8H10O2
Average molar mass: 138.16 g/mol
Monoisotopic mass: 138.06807956

Names & identifiers

Preferred name: 1-Phenoxyethan-1-ol
IUPAC: 1-phenoxyethanol
English name: 1-Phenoxyethanol
Molecular formula: C8H10O2
Molecular weight: 138.16

Names & synonyms

1-Phenoxyethan-1-ol56101-99-6DTXSID20591263RefChem:233021DTXCID105420271-Phenoxyethanolphenoxy ethanolSCHEMBL15709SCHEMBL57754SCHEMBL1679224SCHEMBL3043431SCHEMBL4850886

Show more names

Ethanol, 1-phenoxy-

SCHEMBL5954125SCHEMBL10611867SCHEMBL16671569XEFAJZOBODPHBG-UHFFFAOYSA-N

Database identifiers

CAS: 56101-99-6
PubChem CID: 17848643
DTXSID: DTXSID20591263
Nikkaji: J90.305A

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 87.3

Related reactions

7 records

New reaction record

HRID 78959As reactantuspto-grants-2014_09

HRID 413598As reactantuspto-grants-2003_05

HRID 604695As reactantuspto-grants-2011_03

HRID 1668275As reactantuspto-grants-2011_08

HRID 1824856As reactantuspto-grants-2006_05

HRID 1978462As reactantuspto-grants-2001_05

HRID 2221049As reactantuspto-grants-2008_05

Compound notes

Loading…