4-(3-bromo-2-methylprop-1-enyl)-1,2-dimethylbenzene

C12H15Br — CID 79323664

IUPAC4-(3-bromo-2-methylprop-1-enyl)-1,2-dimethylbenzene
SMILESCC(=Cc1ccc(C)c(C)c1)CBr
InChIInChI=1S/C12H15Br/c1-9(8-13)6-12-5-4-10(2)11(3)7-12/h4-7H,8H2,1-3H3
InChIKeyPIAODMZYOHGLHH-UHFFFAOYSA-N
MW239.16 g/mol
LogP4.10
Rot. Bonds2

About 4-(3-bromo-2-methylprop-1-enyl)-1,2-dimethylbenzene

4-(3-bromo-2-methylprop-1-enyl)-1,2-dimethylbenzene (PubChem CID 79323664) has the molecular formula C12H15Br and a molecular weight of 239.16 g/mol. Its IUPAC name is 4-(3-bromo-2-methylprop-1-enyl)-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-(3-bromo-2-methylprop-1-enyl)-1,2-dimethylbenzene
PubChem CID79323664
Molecular FormulaC12H15Br
Molecular Weight239.16 g/mol
Exact Mass238.04
IUPAC Name4-(3-bromo-2-methylprop-1-enyl)-1,2-dimethylbenzene
SMILESCC(=Cc1ccc(C)c(C)c1)CBr
InChIInChI=1S/C12H15Br/c1-9(8-13)6-12-5-4-10(2)11(3)7-12/h4-7H,8H2,1-3H3
InChIKeyPIAODMZYOHGLHH-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 54.10
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-(3-bromo-2-methylprop-1-enyl)-1,2-difluorobenzene
CID 79324340
[(E)-3-bromo-2-methylprop-1-enyl]benzene
CID 10910824
(E)-3-(3,4-dimethylphenyl)-2-methylprop-2-enal
CID 131473075
1-(3-bromo-2-methylprop-1-enyl)-4-methoxybenzene
CID 79323342
4-(3-bromo-2-methylprop-1-enyl)pyridine
CID 79322993
1-(3-bromo-2-methylprop-1-enyl)-3,5-dichlorobenzene
CID 79323836
(E)-3-(3,4-dimethylphenyl)prop-2-en-1-ol
CID 21017863
1-bromo-4-(3-bromo-2-methylprop-1-enyl)-2-nitrobenzene
CID 79322182
1-[(Z)-3-bromo-2-methylprop-1-enyl]-3-(difluoromethyl)benzene
CID 115530172
(E)-4-(3,4-dimethylphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103092950
3-(4-bromo-3-methylphenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79341442
1,2-dimethyl-4-[(1E)-2-methyl-3-(2-methylphenyl)buta-1,3-dienyl]benzene
CID 145169100

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2-methylprop-1-enyl)-1,2-dimethylbenzene?
The IUPAC name of 4-(3-bromo-2-methylprop-1-enyl)-1,2-dimethylbenzene (CID 79323664) is 4-(3-bromo-2-methylprop-1-enyl)-1,2-dimethylbenzene.
What is the SMILES notation for 4-(3-bromo-2-methylprop-1-enyl)-1,2-dimethylbenzene?
The canonical SMILES for 4-(3-bromo-2-methylprop-1-enyl)-1,2-dimethylbenzene is CC(=Cc1ccc(C)c(C)c1)CBr.
What is the InChIKey of 4-(3-bromo-2-methylprop-1-enyl)-1,2-dimethylbenzene?
The InChIKey is PIAODMZYOHGLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br/c1-9(8-13)6-12-5-4-10(2)11(3)7-12/h4-7H,8H2,1-3H3.
What are the key properties of 4-(3-bromo-2-methylprop-1-enyl)-1,2-dimethylbenzene?
4-(3-bromo-2-methylprop-1-enyl)-1,2-dimethylbenzene has a molecular weight of 239.16 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2-methylprop-1-enyl)-1,2-dimethylbenzene is sourced from PubChem (CID 79323664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).