Molecular Identity
Propofol
2,6-di(propan-2-yl)phenol
PubChem CID: 4943
Propofol is a phenol resulting from the formal substitution of the hydrogen at the 2 position of 1,3-diisopropylbenzene by a hydroxy group. It has a role as an anticonvulsant, a sedative, an intravenous anaesthetic, a radical scavenger and an antiemetic.
2D Structure
Properties
C12H18O
Molecular Formula
178.27
Molecular Weight
g/mol
178.1358
Exact Mass
Da
3.8
XLogP
Drug-like (Lipinski: < 5)
20.2
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
1
H-Bond Acceptors
135
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)OIsomeric SMILES
SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)OSynonyms(20)
propofol2,6-DIISOPROPYLPHENOL2078-54-8DiprivanDisoprofolDisoprivanFresofolRapinovetAmpofol2,6-Bis(1-methylethyl)phenolPropofolumPhenol, 2,6-bis(1-methylethyl)-ICI 35868PropovanICI-35868
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Propofol
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