4-chloro-2-methyl-1-(3-methylbutan-2-yl)benzene

C12H17Cl — CID 123297627

IUPAC4-chloro-2-methyl-1-(3-methylbutan-2-yl)benzene
SMILESCc1cc(Cl)ccc1C(C)C(C)C
InChIInChI=1S/C12H17Cl/c1-8(2)10(4)12-6-5-11(13)7-9(12)3/h5-8,10H,1-4H3
InChIKeyDLFZLXGHTYPAKZ-UHFFFAOYSA-N
MW196.72 g/mol
LogP4.41
Rot. Bonds2

About 4-chloro-2-methyl-1-(3-methylbutan-2-yl)benzene

4-chloro-2-methyl-1-(3-methylbutan-2-yl)benzene (PubChem CID 123297627) has the molecular formula C12H17Cl and a molecular weight of 196.72 g/mol. Its IUPAC name is 4-chloro-2-methyl-1-(3-methylbutan-2-yl)benzene.

Molecular Properties

Compound Name4-chloro-2-methyl-1-(3-methylbutan-2-yl)benzene
PubChem CID123297627
Molecular FormulaC12H17Cl
Molecular Weight196.72 g/mol
Exact Mass196.10
IUPAC Name4-chloro-2-methyl-1-(3-methylbutan-2-yl)benzene
SMILESCc1cc(Cl)ccc1C(C)C(C)C
InChIInChI=1S/C12H17Cl/c1-8(2)10(4)12-6-5-11(13)7-9(12)3/h5-8,10H,1-4H3
InChIKeyDLFZLXGHTYPAKZ-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-chloro-2-methyl-1-propan-2-ylbenzene;hydrogen peroxide
CID 175483234
1-(4-chloro-2-methylphenyl)ethanamine;ethane
CID 143031606
(1R,2R)-1-amino-1-(4-chloro-2-methylphenyl)propan-2-ol
CID 130610740
(1R)-1-(4-chloro-2-methylphenyl)-2-methylbutan-1-amine
CID 130804178
(1S)-1-(4-chloro-2-methylphenyl)-2-fluoroethanamine
CID 124706908
(1R)-1-(4-chloro-2-methylphenyl)propan-1-amine;hydrochloride
CID 171211834
(Z)-2-(4-chloro-2-methylphenyl)-N-ethenyl-4-ethyl-N-methylhept-4-en-3-amine
CID 142119521
N-[1-(2,4-dichlorophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 43105207
(1S)-1-(4-chloro-2-methylphenyl)prop-2-en-1-amine;hydrochloride
CID 171231441
(3S)-3-amino-3-(4-chloro-2-methylphenyl)propan-1-ol
CID 131144923
(S)-(4-chloro-2-methylphenyl)-cyclopentylmethanamine
CID 131595762
5-chloro-3-(3-methylbutan-2-yl)-1H-indole
CID 106985155

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-1-(3-methylbutan-2-yl)benzene?
The IUPAC name of 4-chloro-2-methyl-1-(3-methylbutan-2-yl)benzene (CID 123297627) is 4-chloro-2-methyl-1-(3-methylbutan-2-yl)benzene.
What is the SMILES notation for 4-chloro-2-methyl-1-(3-methylbutan-2-yl)benzene?
The canonical SMILES for 4-chloro-2-methyl-1-(3-methylbutan-2-yl)benzene is Cc1cc(Cl)ccc1C(C)C(C)C.
What is the InChIKey of 4-chloro-2-methyl-1-(3-methylbutan-2-yl)benzene?
The InChIKey is DLFZLXGHTYPAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl/c1-8(2)10(4)12-6-5-11(13)7-9(12)3/h5-8,10H,1-4H3.
What are the key properties of 4-chloro-2-methyl-1-(3-methylbutan-2-yl)benzene?
4-chloro-2-methyl-1-(3-methylbutan-2-yl)benzene has a molecular weight of 196.72 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-1-(3-methylbutan-2-yl)benzene is sourced from PubChem (CID 123297627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).