2-bromo-4-butyl-1-chlorobenzene

C10H12BrCl — CID 50997862

IUPAC2-bromo-4-butyl-1-chlorobenzene
SMILESCCCCc1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H12BrCl/c1-2-3-4-8-5-6-10(12)9(11)7-8/h5-7H,2-4H2,1H3
InChIKeyGUCACDHBTJLVNU-UHFFFAOYSA-N
MW247.56 g/mol
LogP4.45
Rot. Bonds3

About 2-bromo-4-butyl-1-chlorobenzene

2-bromo-4-butyl-1-chlorobenzene (PubChem CID 50997862) has the molecular formula C10H12BrCl and a molecular weight of 247.56 g/mol. Its IUPAC name is 2-bromo-4-butyl-1-chlorobenzene.

Molecular Properties

Compound Name2-bromo-4-butyl-1-chlorobenzene
PubChem CID50997862
Molecular FormulaC10H12BrCl
Molecular Weight247.56 g/mol
Exact Mass245.98
IUPAC Name2-bromo-4-butyl-1-chlorobenzene
SMILESCCCCc1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H12BrCl/c1-2-3-4-8-5-6-10(12)9(11)7-8/h5-7H,2-4H2,1H3
InChIKeyGUCACDHBTJLVNU-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.56
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,4-dibutyl-1-chlorobenzene
CID 18417644
4-butyl-1-chloro-2-fluorobenzene
CID 20755408
2-(3-bromo-4-chlorophenyl)ethanamine
CID 68561444
1,2-dibromo-4-hexylbenzene
CID 54422362
2-bromo-5-butylaniline
CID 130156190
2-bromo-1-fluoro-4-pentylbenzene
CID 155293840
2-bromo-1-ethoxy-4-pentylbenzene
CID 171368096
1-bromo-4-[bromo-(4-butylphenyl)methyl]-2-chlorobenzene
CID 81307567
1-(3-bromo-4-chlorophenyl)-N-methylmethanamine
CID 75355471
2-bromo-1-fluoro-4-undecylbenzene
CID 10958447
2-bromo-1-[(Z)-2-(2-bromo-4-pentylphenyl)ethenyl]-4-pentylbenzene
CID 134887709
(4-butyl-2-chlorophenyl)methanol
CID 22508825

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-butyl-1-chlorobenzene?
The IUPAC name of 2-bromo-4-butyl-1-chlorobenzene (CID 50997862) is 2-bromo-4-butyl-1-chlorobenzene.
What is the SMILES notation for 2-bromo-4-butyl-1-chlorobenzene?
The canonical SMILES for 2-bromo-4-butyl-1-chlorobenzene is CCCCc1ccc(Cl)c(Br)c1.
What is the InChIKey of 2-bromo-4-butyl-1-chlorobenzene?
The InChIKey is GUCACDHBTJLVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrCl/c1-2-3-4-8-5-6-10(12)9(11)7-8/h5-7H,2-4H2,1H3.
What are the key properties of 2-bromo-4-butyl-1-chlorobenzene?
2-bromo-4-butyl-1-chlorobenzene has a molecular weight of 247.56 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-butyl-1-chlorobenzene is sourced from PubChem (CID 50997862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).