Molecular Identity
Phenol
phenol
PubChem CID: 996
Phenol is an organic hydroxy compound that consists of benzene bearing a single hydroxy substituent. The parent of the class of phenols. It has a role as an antiseptic drug, a disinfectant, a mouse metabolite and a human xenobiotic metabolite. It is a conjugate acid of a phenolate.
2D Structure
Properties
C6H6O
Molecular Formula
94.11
Molecular Weight
g/mol
94.0419
Exact Mass
Da
1.5
XLogP
Drug-like (Lipinski: < 5)
20.2
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
1
H-Bond Acceptors
46
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC=C(C=C1)OIsomeric SMILES
SMILES: C1=CC=C(C=C1)OSynonyms(20)
phenol108-95-2carbolic acidHydroxybenzenePhenic acidOxybenzeneBenzenolPhenylic acidPhenylic alcoholMonophenolPhenyl hydratePhenyl hydroxidePhOHMonohydroxybenzenePaoscle
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Phenol
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