1-chloro-2-(2,3-dimethylbutyl)benzene

C12H17Cl — CID 123440272

IUPAC1-chloro-2-(2,3-dimethylbutyl)benzene
SMILESCC(C)C(C)Cc1ccccc1Cl
InChIInChI=1S/C12H17Cl/c1-9(2)10(3)8-11-6-4-5-7-12(11)13/h4-7,9-10H,8H2,1-3H3
InChIKeyIBHNYEDXBXPPOQ-UHFFFAOYSA-N
MW196.72 g/mol
LogP4.17
Rot. Bonds3

About 1-chloro-2-(2,3-dimethylbutyl)benzene

1-chloro-2-(2,3-dimethylbutyl)benzene (PubChem CID 123440272) has the molecular formula C12H17Cl and a molecular weight of 196.72 g/mol. Its IUPAC name is 1-chloro-2-(2,3-dimethylbutyl)benzene.

Molecular Properties

Compound Name1-chloro-2-(2,3-dimethylbutyl)benzene
PubChem CID123440272
Molecular FormulaC12H17Cl
Molecular Weight196.72 g/mol
Exact Mass196.10
IUPAC Name1-chloro-2-(2,3-dimethylbutyl)benzene
SMILESCC(C)C(C)Cc1ccccc1Cl
InChIInChI=1S/C12H17Cl/c1-9(2)10(3)8-11-6-4-5-7-12(11)13/h4-7,9-10H,8H2,1-3H3
InChIKeyIBHNYEDXBXPPOQ-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(2-chlorophenyl)-N,3-dimethylbutan-2-amine
CID 60995305
1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene
CID 113460184
1-(2-chlorophenyl)-3-methoxy-4-methylpentan-2-ol
CID 116711926
2-[(2-chlorophenyl)methyl]-3,3-dimethylbutanoic acid
CID 83138130
4-(2-chlorophenyl)-3-methylbutan-2-one
CID 59397015
(2R)-3-(2-chlorophenyl)-2-methylpropanoic acid
CID 40999440
1-(2-chlorophenyl)-N-ethylpropan-2-amine
CID 43677539
5-(2-chlorophenyl)-4-methylpentan-2-amine
CID 64719849
2-amino-4-(2-chlorophenyl)-1-(3,4-dichlorophenyl)-3-methylbutan-1-ol
CID 67673658
3-[(2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine
CID 62914731
(1R,2R)-2-amino-4-(2-chlorophenyl)-1-(3-chlorophenyl)-3-methylbutan-1-ol
CID 67673909
2-amino-4-(2-chlorophenyl)-3-methyl-1-(2-methylphenyl)butan-1-ol
CID 67672020

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2,3-dimethylbutyl)benzene?
The IUPAC name of 1-chloro-2-(2,3-dimethylbutyl)benzene (CID 123440272) is 1-chloro-2-(2,3-dimethylbutyl)benzene.
What is the SMILES notation for 1-chloro-2-(2,3-dimethylbutyl)benzene?
The canonical SMILES for 1-chloro-2-(2,3-dimethylbutyl)benzene is CC(C)C(C)Cc1ccccc1Cl.
What is the InChIKey of 1-chloro-2-(2,3-dimethylbutyl)benzene?
The InChIKey is IBHNYEDXBXPPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl/c1-9(2)10(3)8-11-6-4-5-7-12(11)13/h4-7,9-10H,8H2,1-3H3.
What are the key properties of 1-chloro-2-(2,3-dimethylbutyl)benzene?
1-chloro-2-(2,3-dimethylbutyl)benzene has a molecular weight of 196.72 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2,3-dimethylbutyl)benzene is sourced from PubChem (CID 123440272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).