1-chloro-2-(cyclopropylmethyl)-3,5-dimethylbenzene

C12H15Cl — CID 143995722

IUPAC1-chloro-2-(cyclopropylmethyl)-3,5-dimethylbenzene
SMILESCc1cc(C)c(CC2CC2)c(Cl)c1
InChIInChI=1S/C12H15Cl/c1-8-5-9(2)11(12(13)6-8)7-10-3-4-10/h5-6,10H,3-4,7H2,1-2H3
InChIKeyQUHVPCQMXFLRBW-UHFFFAOYSA-N
MW194.71 g/mol
LogP3.91
Rot. Bonds2

About 1-chloro-2-(cyclopropylmethyl)-3,5-dimethylbenzene

1-chloro-2-(cyclopropylmethyl)-3,5-dimethylbenzene (PubChem CID 143995722) has the molecular formula C12H15Cl and a molecular weight of 194.71 g/mol. Its IUPAC name is 1-chloro-2-(cyclopropylmethyl)-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-chloro-2-(cyclopropylmethyl)-3,5-dimethylbenzene
PubChem CID143995722
Molecular FormulaC12H15Cl
Molecular Weight194.71 g/mol
Exact Mass194.09
IUPAC Name1-chloro-2-(cyclopropylmethyl)-3,5-dimethylbenzene
SMILESCc1cc(C)c(CC2CC2)c(Cl)c1
InChIInChI=1S/C12H15Cl/c1-8-5-9(2)11(12(13)6-8)7-10-3-4-10/h5-6,10H,3-4,7H2,1-2H3
InChIKeyQUHVPCQMXFLRBW-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.71
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-chloro-2-(cyclopropylmethyl)-3,5-dimethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-2-(iodomethyl)-3,5-dimethylbenzene
CID 170736542
4-[(2-methoxy-4,6-dimethylphenyl)methyl]cyclohexan-1-ol
CID 116928492
1-(2-chloro-4,6-dimethylphenyl)-N-methylmethanamine
CID 84769264
2-(2-chloro-4,6-dimethylphenyl)acetic acid
CID 59141966
3-chloro-5-methyl-2-(piperidin-3-ylmethyl)phenol
CID 84800063
1-(cyclopropylmethyl)-2,4-dimethylbenzene
CID 156717993
1,2,4,5-tetramethyl-3-[(4-methylcyclohexyl)methyl]benzene
CID 58224470
3-[(2,4,6-trimethylphenyl)methyl]cycloheptan-1-one
CID 64505981
2-[(4-hydroxycyclohexyl)methyl]-4,6-dimethylphenol
CID 123388666
4-ethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine
CID 63453897
2-(chloromethyl)-1,3,5-trimethylbenzene;methane
CID 158287443
1-chloro-2,3,5-trimethylbenzene;ethane
CID 142028955

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(cyclopropylmethyl)-3,5-dimethylbenzene?
The IUPAC name of 1-chloro-2-(cyclopropylmethyl)-3,5-dimethylbenzene (CID 143995722) is 1-chloro-2-(cyclopropylmethyl)-3,5-dimethylbenzene.
What is the SMILES notation for 1-chloro-2-(cyclopropylmethyl)-3,5-dimethylbenzene?
The canonical SMILES for 1-chloro-2-(cyclopropylmethyl)-3,5-dimethylbenzene is Cc1cc(C)c(CC2CC2)c(Cl)c1.
What is the InChIKey of 1-chloro-2-(cyclopropylmethyl)-3,5-dimethylbenzene?
The InChIKey is QUHVPCQMXFLRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl/c1-8-5-9(2)11(12(13)6-8)7-10-3-4-10/h5-6,10H,3-4,7H2,1-2H3.
What are the key properties of 1-chloro-2-(cyclopropylmethyl)-3,5-dimethylbenzene?
1-chloro-2-(cyclopropylmethyl)-3,5-dimethylbenzene has a molecular weight of 194.71 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(cyclopropylmethyl)-3,5-dimethylbenzene is sourced from PubChem (CID 143995722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).