Molecular Identity
M-Cresol
3-methylphenol
PubChem CID: 342
M-cresol is a cresol with the methyl substituent at position 3. It is a minor urinary metabolite of toluene. It has a role as a human xenobiotic metabolite.
2D Structure
Properties
C7H8O
Molecular Formula
108.14
Molecular Weight
g/mol
108.0575
Exact Mass
Da
2
XLogP
Drug-like (Lipinski: < 5)
20.2
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
1
H-Bond Acceptors
70
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=CC=C1)OIsomeric SMILES
SMILES: CC1=CC(=CC=C1)OSynonyms(20)
m-cresol3-methylphenol108-39-4MetacresolPhenol, 3-methyl-3-hydroxytoluenemeta-cresolm-methylphenol3-cresolm-kresolm-cresylic acidm-toluol1-hydroxy-3-methylbenzenem-oxytoluenem-Hydroxytoluene
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to M-Cresol
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