1-chloro-3-methyl-2-(2-methylprop-1-enyl)benzene

C11H13Cl — CID 134266599

IUPAC1-chloro-3-methyl-2-(2-methylprop-1-enyl)benzene
SMILESCC(C)=Cc1c(C)cccc1Cl
InChIInChI=1S/C11H13Cl/c1-8(2)7-10-9(3)5-4-6-11(10)12/h4-7H,1-3H3
InChIKeyXWFYXPULYIJNIN-UHFFFAOYSA-N
MW180.68 g/mol
LogP4.07
Rot. Bonds1

About 1-chloro-3-methyl-2-(2-methylprop-1-enyl)benzene

1-chloro-3-methyl-2-(2-methylprop-1-enyl)benzene (PubChem CID 134266599) has the molecular formula C11H13Cl and a molecular weight of 180.68 g/mol. Its IUPAC name is 1-chloro-3-methyl-2-(2-methylprop-1-enyl)benzene.

Molecular Properties

Compound Name1-chloro-3-methyl-2-(2-methylprop-1-enyl)benzene
PubChem CID134266599
Molecular FormulaC11H13Cl
Molecular Weight180.68 g/mol
Exact Mass180.07
IUPAC Name1-chloro-3-methyl-2-(2-methylprop-1-enyl)benzene
SMILESCC(C)=Cc1c(C)cccc1Cl
InChIInChI=1S/C11H13Cl/c1-8(2)7-10-9(3)5-4-6-11(10)12/h4-7H,1-3H3
InChIKeyXWFYXPULYIJNIN-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.68
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-2-[(E)-2-methoxyethenyl]-3-methylbenzene
CID 167712978
2,5-dimethyl-1-(2-methylprop-1-enyl)naphthalene
CID 143534926
ethyl (E)-3-(2-chloro-6-methylphenyl)prop-2-enoate
CID 91755247
1-(2-chloro-6-methylphenyl)-N-(methylideneamino)methanimine
CID 90822812
3-(2,6-dichlorophenyl)-2-methylprop-2-en-1-ol
CID 79334453
2,6-dimethylbenzaldehyde
CID 159545887
2-chloro-6-methylphenol;yttrium
CID 178141464
N-[amino(dimethylamino)methylidene]-3-(2-chloro-6-methylphenyl)prop-2-enamide
CID 159702567
(Z)-4-(2,6-dichlorophenyl)but-3-en-2-one
CID 42556106
3-(2,6-dichlorophenyl)-2-methylprop-2-ene-1-sulfonic acid
CID 173463121
N-[(2-chloro-6-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 171337628
CID 66838097
CID 66838097

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methyl-2-(2-methylprop-1-enyl)benzene?
The IUPAC name of 1-chloro-3-methyl-2-(2-methylprop-1-enyl)benzene (CID 134266599) is 1-chloro-3-methyl-2-(2-methylprop-1-enyl)benzene.
What is the SMILES notation for 1-chloro-3-methyl-2-(2-methylprop-1-enyl)benzene?
The canonical SMILES for 1-chloro-3-methyl-2-(2-methylprop-1-enyl)benzene is CC(C)=Cc1c(C)cccc1Cl.
What is the InChIKey of 1-chloro-3-methyl-2-(2-methylprop-1-enyl)benzene?
The InChIKey is XWFYXPULYIJNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl/c1-8(2)7-10-9(3)5-4-6-11(10)12/h4-7H,1-3H3.
What are the key properties of 1-chloro-3-methyl-2-(2-methylprop-1-enyl)benzene?
1-chloro-3-methyl-2-(2-methylprop-1-enyl)benzene has a molecular weight of 180.68 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methyl-2-(2-methylprop-1-enyl)benzene is sourced from PubChem (CID 134266599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).