4-(1-chloro-2-methylpropyl)-1,2-dimethylbenzene

C12H17Cl — CID 63427495

IUPAC4-(1-chloro-2-methylpropyl)-1,2-dimethylbenzene
SMILESCc1ccc(C(Cl)C(C)C)cc1C
InChIInChI=1S/C12H17Cl/c1-8(2)12(13)11-6-5-9(3)10(4)7-11/h5-8,12H,1-4H3
InChIKeyLISJVTPQGSOFHK-UHFFFAOYSA-N
MW196.72 g/mol
LogP4.24
Rot. Bonds2

About 4-(1-chloro-2-methylpropyl)-1,2-dimethylbenzene

4-(1-chloro-2-methylpropyl)-1,2-dimethylbenzene (PubChem CID 63427495) has the molecular formula C12H17Cl and a molecular weight of 196.72 g/mol. Its IUPAC name is 4-(1-chloro-2-methylpropyl)-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-(1-chloro-2-methylpropyl)-1,2-dimethylbenzene
PubChem CID63427495
Molecular FormulaC12H17Cl
Molecular Weight196.72 g/mol
Exact Mass196.10
IUPAC Name4-(1-chloro-2-methylpropyl)-1,2-dimethylbenzene
SMILESCc1ccc(C(Cl)C(C)C)cc1C
InChIInChI=1S/C12H17Cl/c1-8(2)12(13)11-6-5-9(3)10(4)7-11/h5-8,12H,1-4H3
InChIKeyLISJVTPQGSOFHK-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.72
LogP ≤ 54.24
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

4-(1-bromo-2-methylpropyl)-1,2-dimethylbenzene
CID 63436116
1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 142019921
2-(3,4-dimethylphenyl)-3-methylbutanoic acid
CID 12604022
(1R)-1-(3,4-dimethylphenyl)ethanamine
CID 7022091
1-(3,4-dimethylphenyl)-2-methoxypropan-1-ol
CID 79617741
4-[chloro-(4-iodophenyl)methyl]-1,2-dimethylbenzene
CID 63427367
1-[chloro-(3,4-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 63429571
1-[chloro-(3,4-dimethylphenyl)methyl]-3,5-dimethylbenzene
CID 63430827
4-(2-chloro-3-methylbutyl)-1,2-dimethylbenzene
CID 63520209
4-(1-chloro-3,3-dimethylbutyl)-1,2-dimethylbenzene
CID 63430869
CID 22401841
CID 22401841
1-bromo-4-(1-chloro-2-methylpropyl)benzene
CID 63428554

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloro-2-methylpropyl)-1,2-dimethylbenzene?
The IUPAC name of 4-(1-chloro-2-methylpropyl)-1,2-dimethylbenzene (CID 63427495) is 4-(1-chloro-2-methylpropyl)-1,2-dimethylbenzene.
What is the SMILES notation for 4-(1-chloro-2-methylpropyl)-1,2-dimethylbenzene?
The canonical SMILES for 4-(1-chloro-2-methylpropyl)-1,2-dimethylbenzene is Cc1ccc(C(Cl)C(C)C)cc1C.
What is the InChIKey of 4-(1-chloro-2-methylpropyl)-1,2-dimethylbenzene?
The InChIKey is LISJVTPQGSOFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl/c1-8(2)12(13)11-6-5-9(3)10(4)7-11/h5-8,12H,1-4H3.
What are the key properties of 4-(1-chloro-2-methylpropyl)-1,2-dimethylbenzene?
4-(1-chloro-2-methylpropyl)-1,2-dimethylbenzene has a molecular weight of 196.72 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloro-2-methylpropyl)-1,2-dimethylbenzene is sourced from PubChem (CID 63427495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).