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Molecule record

PHENETOLE

C8H10O

122.16 g/mol

2D structure for PHENETOLE

Molecular properties

Formula
C8H10O
Molar mass
122.16 g·mol−1
Exact mass
122.0732 Da
4
0
1
9.20 Ų
2.5 (PubChem computed XLogP3-AA descriptor)
CAS
103-73-1
PubChem CID
7674

Interactions

Polarity
Often polar; exact polarity depends on size, substitution, and ionization state.
Acid-base behavior
Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
Intermolecular forces
Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.

Functional groups

Alkene
Aromatic ring
Ether
Phenol

Physical properties

PropertyValueConditionsSource
Logp2.5PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 1-Ethoxybenzene
  • 103-73-1
  • 203-139-7
  • A Phenoxyethane
  • Benzene, ethoxy
  • Benzene, ethoxy-
  • CHEBI:67129
  • DTXCID7032767
Show all 22 synonyms
  • DTXSID7059278
  • Ether, ethyl phenyl
  • Ether, ethyl phenyl-
  • Ethoxybenzene
  • Ethoxybenzene; Ethyl phenyl ether; NSC 406706; Phenetol; Phenoxyethane; Phenyl ethyl ether
  • Ethyl phenyl ether
  • HSDB 112
  • MFCD00009090
  • NSC-406706
  • Phenetol
  • Phenoxyethane
  • Phenyl ethyl ether
  • RB8LU2C57F
  • RefChem:929009

Structure identifiers

Canonical SMILES
CCOC1=CC=CC=C1
Isomeric SMILES
CCOC1=CC=CC=C1
InChI
InChI=1S/C8H10O/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey
DLRJIFUOBPOJNS-UHFFFAOYSA-N
PubChem CID
7674

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

IR spectrum

ChemArche Original Educational Content(redistributable)

Simulated FTIR trace

Predicted FTIR / %T

4 cm-1 resolution / deterministic instrument profile

Hover for cursor
4000350030002500200015001000500100500wavenumber (cm−1)transmittance (%)

Peak assignments

3350 cm−1broad O-H (simulated)
1645 cm−1C=C alkene (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
1100 cm−1C-O ether (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

On-demand educational prediction for PHENETOLE; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for PHENETOLE; not experimental data.

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

simulated IR

ChemForge original educational simulation.

ChemArche Original Educational Content(redistributable)
Open source record