1-bromo-2-chloro-4-propan-2-ylbenzene

C9H10BrCl — CID 20739733

IUPAC1-bromo-2-chloro-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C9H10BrCl/c1-6(2)7-3-4-8(10)9(11)5-7/h3-6H,1-2H3
InChIKeyLMQLTGKBVZVFIR-UHFFFAOYSA-N
MW233.54 g/mol
LogP4.23
Rot. Bonds1

About 1-bromo-2-chloro-4-propan-2-ylbenzene

1-bromo-2-chloro-4-propan-2-ylbenzene (PubChem CID 20739733) has the molecular formula C9H10BrCl and a molecular weight of 233.54 g/mol. Its IUPAC name is 1-bromo-2-chloro-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-bromo-2-chloro-4-propan-2-ylbenzene
PubChem CID20739733
Molecular FormulaC9H10BrCl
Molecular Weight233.54 g/mol
Exact Mass231.97
IUPAC Name1-bromo-2-chloro-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C9H10BrCl/c1-6(2)7-3-4-8(10)9(11)5-7/h3-6H,1-2H3
InChIKeyLMQLTGKBVZVFIR-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.54
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-4-[bromo-(4-propan-2-ylphenyl)methyl]-2-chlorobenzene
CID 81307063
(1S)-1-(4-bromo-3-chlorophenyl)-N-methylethanamine
CID 130663868
(1R)-1-(4-bromo-3-chlorophenyl)-N-methylethanamine
CID 130690836
2-chloro-1-isocyano-4-propan-2-ylbenzene
CID 140697390
(1R)-1-(4-bromo-3-chlorophenyl)propan-1-amine
CID 130699468
3-amino-1-(4-bromo-3-chlorophenyl)-2-methylpropan-1-ol
CID 81308238
(4-bromo-3-chlorophenyl)-(3-chloro-4-methylphenyl)methanol
CID 107562230
1-(4-bromo-3-chlorophenyl)-3-methylbut-2-en-1-ol
CID 115817113
(4-bromo-3-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 81293215
2-bromo-6-chloro-4-propan-2-ylaniline
CID 164890757
(1R)-1-(4-bromo-3-chlorophenyl)ethane-1,2-diamine
CID 130673316
ethyl 2-(4-bromo-3-chlorophenyl)propanoate
CID 105426704

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chloro-4-propan-2-ylbenzene?
The IUPAC name of 1-bromo-2-chloro-4-propan-2-ylbenzene (CID 20739733) is 1-bromo-2-chloro-4-propan-2-ylbenzene.
What is the SMILES notation for 1-bromo-2-chloro-4-propan-2-ylbenzene?
The canonical SMILES for 1-bromo-2-chloro-4-propan-2-ylbenzene is CC(C)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-bromo-2-chloro-4-propan-2-ylbenzene?
The InChIKey is LMQLTGKBVZVFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrCl/c1-6(2)7-3-4-8(10)9(11)5-7/h3-6H,1-2H3.
What are the key properties of 1-bromo-2-chloro-4-propan-2-ylbenzene?
1-bromo-2-chloro-4-propan-2-ylbenzene has a molecular weight of 233.54 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-chloro-4-propan-2-ylbenzene is sourced from PubChem (CID 20739733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).