Molecular Identity
2-Chloro-4-isopropyltoluene
2-chloro-1-methyl-4-propan-2-ylbenzene
PubChem CID: 20420
2D Structure
Properties
C10H13Cl
Molecular Formula
168.66
Molecular Weight
g/mol
168.0706
Exact Mass
Da
4
XLogP
Drug-like (Lipinski: < 5)
0
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
0
H-Bond Acceptors
120
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C=C(C=C1)C(C)C)ClIsomeric SMILES
SMILES: CC1=C(C=C(C=C1)C(C)C)ClSynonyms(20)
4395-79-32-Chloro-4-isopropyltolueneBenzene, 2-chloro-1-methyl-4-(1-methylethyl)-2-Chloro-1-methyl-4-(propan-2-yl)benzeneRR8EN2PD3YNSC-409886DTXSID101032192RefChem:1062781DTXCID6041715p-Cymene, 2-chloro-Septol2-ChlorocymolCarvacryl chloride54411-19-72-Chloro-4-isopropyl-1-methylbenzene
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 2-Chloro-4-isopropyltoluene
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