1-(1-chloro-2-methylpropyl)-2-methylbenzene

C11H15Cl — CID 67877325

IUPAC1-(1-chloro-2-methylpropyl)-2-methylbenzene
SMILESCc1ccccc1C(Cl)C(C)C
InChIInChI=1S/C11H15Cl/c1-8(2)11(12)10-7-5-4-6-9(10)3/h4-8,11H,1-3H3
InChIKeyIZDNSNXHVNZGNZ-UHFFFAOYSA-N
MW182.69 g/mol
LogP3.93
Rot. Bonds2

About 1-(1-chloro-2-methylpropyl)-2-methylbenzene

1-(1-chloro-2-methylpropyl)-2-methylbenzene (PubChem CID 67877325) has the molecular formula C11H15Cl and a molecular weight of 182.69 g/mol. Its IUPAC name is 1-(1-chloro-2-methylpropyl)-2-methylbenzene.

Molecular Properties

Compound Name1-(1-chloro-2-methylpropyl)-2-methylbenzene
PubChem CID67877325
Molecular FormulaC11H15Cl
Molecular Weight182.69 g/mol
Exact Mass182.09
IUPAC Name1-(1-chloro-2-methylpropyl)-2-methylbenzene
SMILESCc1ccccc1C(Cl)C(C)C
InChIInChI=1S/C11H15Cl/c1-8(2)11(12)10-7-5-4-6-9(10)3/h4-8,11H,1-3H3
InChIKeyIZDNSNXHVNZGNZ-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.69
LogP ≤ 53.93
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

1-methyl-2-[2-methyl-1-(2-methylphenyl)propyl]benzene
CID 14267704
CID 174622324
CID 174622324
bis((1S)-1-(2-methylphenyl)ethanamine);dihydrochloride
CID 134129357
(2S)-3-methyl-2-(2-methylphenyl)butanenitrile
CID 92978892
1-chloro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene
CID 158048784
2-chloro-2-(2-methylphenyl)acetic acid
CID 23338325
1-[1-[2,3-dimethyl-1-(2-methylphenyl)butoxy]-2,3-dimethylbutyl]-2-methylbenzene
CID 169096953
1-methyl-2-(2-methyl-1-propan-2-yloxypropyl)benzene
CID 158625827
bis(1-methyl-2-propan-2-ylbenzene);toluene
CID 162261210
(1S,2R)-1-amino-3-methyl-1-(2-methylphenyl)butan-2-ol
CID 130701027
2-chloro-N,N-dimethyl-2-(2-methylphenyl)ethanamine
CID 90158415
2-bromo-2-(2-methylphenyl)acetyl chloride
CID 130740286

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-2-methylpropyl)-2-methylbenzene?
The IUPAC name of 1-(1-chloro-2-methylpropyl)-2-methylbenzene (CID 67877325) is 1-(1-chloro-2-methylpropyl)-2-methylbenzene.
What is the SMILES notation for 1-(1-chloro-2-methylpropyl)-2-methylbenzene?
The canonical SMILES for 1-(1-chloro-2-methylpropyl)-2-methylbenzene is Cc1ccccc1C(Cl)C(C)C.
What is the InChIKey of 1-(1-chloro-2-methylpropyl)-2-methylbenzene?
The InChIKey is IZDNSNXHVNZGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl/c1-8(2)11(12)10-7-5-4-6-9(10)3/h4-8,11H,1-3H3.
What are the key properties of 1-(1-chloro-2-methylpropyl)-2-methylbenzene?
1-(1-chloro-2-methylpropyl)-2-methylbenzene has a molecular weight of 182.69 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-2-methylpropyl)-2-methylbenzene is sourced from PubChem (CID 67877325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).