bmse000681 4-ethylphenol at BMRB

4-ethylphenol

p-ethylphenol; 4-Ethylphenol; phenol, 4-ethyl-; BENZENE,1-ETHYL,4-HYDROXY; Phenol, p-ethyl-; Phenol, 4-ethyl-

Molecular Formula: C8 H10 O
Natural Isotopic Abundance Mass: 122.1644
Mono-Isotopic Molecular Masses: C12N14: 122.0731649431; C13N14: 130.1000036455; C12N15: 122.0731649431; C13N15: 130.1000036455

4-ethylphenol

InCHi String:
InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3

canonical and isomeric SMILES:
CCC1=CC=C(C=C1)O

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
4-ethylphenol

PubChem Substance (SID):   111677819   588097   48421953
PubChem Compound (CID):   31242
KEGG: Compound ID   C13637
CAS Registry IDs:   123-07-9
PDB Chemical Component   ETY
Miscellaneous Databases and IDs:   Sigma-Aldrich E44205_ALDRICH   EPA DSSTox 22447   BioCyc CPD-10596   ZINC ZINC01690956   NMRShiftDB 10008890   ChemDB 3969620   NIST Chemistry WebBook 3232221708   MMCD cq_09630   MDL MFCD00002393

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.