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

C12H17Cl — CID 64666954

IUPAC1-(3-chloro-2-methylpropyl)-3,5-dimethylbenzene
SMILESCc1cc(C)cc(CC(C)CCl)c1
InChIInChI=1S/C12H17Cl/c1-9-4-10(2)6-12(5-9)7-11(3)8-13/h4-6,11H,7-8H2,1-3H3
InChIKeyCWEKVGUZOCCUQU-UHFFFAOYSA-N
MW196.72 g/mol
LogP3.72
Rot. Bonds3

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

1-(3-chloro-2-methylpropyl)-3,5-dimethylbenzene (PubChem CID 64666954) has the molecular formula C12H17Cl and a molecular weight of 196.72 g/mol. Its IUPAC name is 1-(3-chloro-2-methylpropyl)-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-(3-chloro-2-methylpropyl)-3,5-dimethylbenzene
PubChem CID64666954
Molecular FormulaC12H17Cl
Molecular Weight196.72 g/mol
Exact Mass196.10
IUPAC Name1-(3-chloro-2-methylpropyl)-3,5-dimethylbenzene
SMILESCc1cc(C)cc(CC(C)CCl)c1
InChIInChI=1S/C12H17Cl/c1-9-4-10(2)6-12(5-9)7-11(3)8-13/h4-6,11H,7-8H2,1-3H3
InChIKeyCWEKVGUZOCCUQU-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.72
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-(3,5-dimethylphenyl)propan-2-ol
CID 93461855
2-(chloromethyl)-3-(3,5-dimethylphenyl)propanenitrile
CID 63215043
1,3-bis(3,5-dimethylphenyl)propan-2-ol
CID 63411020
1-(2-chlorobutyl)-3,5-dimethylbenzene
CID 130480288
1-[1-(3,5-dimethylphenyl)butan-2-yl]-3,5-dimethylbenzene
CID 175315928
1-(chloromethyl)-3,5-dimethylbenzene;silane
CID 160884326
1-(3-bromo-2-methylpropyl)-3-fluoro-5-methylbenzene
CID 79704131
1-chloro-N-[(3,5-dimethylphenyl)methyl]-N-methylpropan-2-amine
CID 104555042
1-chloro-N-[(3,5-dimethylphenyl)methyl]-3-methylbutan-2-amine
CID 79259499
1-chloro-3-(3-chloro-2-methylpropyl)benzene
CID 64665246
5-(3-chloro-2-methylpropyl)-2-methylpyridine
CID 64664823
1-(3-chloro-2-methylpropyl)-4-fluorobenzene
CID 64666750

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylpropyl)-3,5-dimethylbenzene?
The IUPAC name of 1-(3-chloro-2-methylpropyl)-3,5-dimethylbenzene (CID 64666954) is 1-(3-chloro-2-methylpropyl)-3,5-dimethylbenzene.
What is the SMILES notation for 1-(3-chloro-2-methylpropyl)-3,5-dimethylbenzene?
The canonical SMILES for 1-(3-chloro-2-methylpropyl)-3,5-dimethylbenzene is Cc1cc(C)cc(CC(C)CCl)c1.
What is the InChIKey of 1-(3-chloro-2-methylpropyl)-3,5-dimethylbenzene?
The InChIKey is CWEKVGUZOCCUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl/c1-9-4-10(2)6-12(5-9)7-11(3)8-13/h4-6,11H,7-8H2,1-3H3.
What are the key properties of 1-(3-chloro-2-methylpropyl)-3,5-dimethylbenzene?
1-(3-chloro-2-methylpropyl)-3,5-dimethylbenzene has a molecular weight of 196.72 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylpropyl)-3,5-dimethylbenzene is sourced from PubChem (CID 64666954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).