1-bromo-3-chloro-2-(4-chloro-2-methylpentan-2-yl)benzene

C12H15BrCl2 — CID 130505893

IUPAC1-bromo-3-chloro-2-(4-chloro-2-methylpentan-2-yl)benzene
SMILESCC(Cl)CC(C)(C)c1c(Cl)cccc1Br
InChIInChI=1S/C12H15BrCl2/c1-8(14)7-12(2,3)11-9(13)5-4-6-10(11)15/h4-6,8H,7H2,1-3H3
InChIKeyYNCLXJKAOWGGMH-UHFFFAOYSA-N
MW310.06 g/mol
LogP5.40
Rot. Bonds3

About 1-bromo-3-chloro-2-(4-chloro-2-methylpentan-2-yl)benzene

1-bromo-3-chloro-2-(4-chloro-2-methylpentan-2-yl)benzene (PubChem CID 130505893) has the molecular formula C12H15BrCl2 and a molecular weight of 310.06 g/mol. Its IUPAC name is 1-bromo-3-chloro-2-(4-chloro-2-methylpentan-2-yl)benzene.

Molecular Properties

Compound Name1-bromo-3-chloro-2-(4-chloro-2-methylpentan-2-yl)benzene
PubChem CID130505893
Molecular FormulaC12H15BrCl2
Molecular Weight310.06 g/mol
Exact Mass307.97
IUPAC Name1-bromo-3-chloro-2-(4-chloro-2-methylpentan-2-yl)benzene
SMILESCC(Cl)CC(C)(C)c1c(Cl)cccc1Br
InChIInChI=1S/C12H15BrCl2/c1-8(14)7-12(2,3)11-9(13)5-4-6-10(11)15/h4-6,8H,7H2,1-3H3
InChIKeyYNCLXJKAOWGGMH-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.06
LogP ≤ 55.40
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

2-(2-bromo-6-chlorophenyl)-2-methylbutanenitrile
CID 130133590
1-bromo-2-chloro-4-(4-chloro-2-methylpentan-2-yl)-3-fluorobenzene
CID 106763531
1-(4-chloro-2-methylpentan-2-yl)-2-(trifluoromethyl)benzene
CID 64715364
2-(2,6-dichlorophenyl)propane-2-thiol
CID 146376660
(1R)-1-(2-bromo-6-chlorophenyl)ethanamine
CID 130968340
2-(4-bromo-2,2-dimethylpentyl)-1,3-dichlorobenzene
CID 64718339
1-(2,6-dichlorophenyl)ethane-1,1-diol
CID 145115898
N-tert-butyl-2-(2,6-dichlorophenyl)-2-methylpropan-1-amine
CID 55195552
1-bromo-3-chloro-2-ethylbenzene
CID 54267312
3-(2-bromo-6-chlorophenyl)-2-methylbutan-1-amine
CID 130505913
1-bromo-2-(2-chloropropoxy)benzene
CID 22752746
(2S)-2-amino-2-(2,6-dibromophenyl)propan-1-ol
CID 131218128

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-chloro-2-(4-chloro-2-methylpentan-2-yl)benzene?
The IUPAC name of 1-bromo-3-chloro-2-(4-chloro-2-methylpentan-2-yl)benzene (CID 130505893) is 1-bromo-3-chloro-2-(4-chloro-2-methylpentan-2-yl)benzene.
What is the SMILES notation for 1-bromo-3-chloro-2-(4-chloro-2-methylpentan-2-yl)benzene?
The canonical SMILES for 1-bromo-3-chloro-2-(4-chloro-2-methylpentan-2-yl)benzene is CC(Cl)CC(C)(C)c1c(Cl)cccc1Br.
What is the InChIKey of 1-bromo-3-chloro-2-(4-chloro-2-methylpentan-2-yl)benzene?
The InChIKey is YNCLXJKAOWGGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrCl2/c1-8(14)7-12(2,3)11-9(13)5-4-6-10(11)15/h4-6,8H,7H2,1-3H3.
What are the key properties of 1-bromo-3-chloro-2-(4-chloro-2-methylpentan-2-yl)benzene?
1-bromo-3-chloro-2-(4-chloro-2-methylpentan-2-yl)benzene has a molecular weight of 310.06 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-chloro-2-(4-chloro-2-methylpentan-2-yl)benzene is sourced from PubChem (CID 130505893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).