1-bromo-2-(5-chloro-2-methylpent-2-enyl)benzene

C12H14BrCl — CID 79592669

IUPAC1-bromo-2-(5-chloro-2-methylpent-2-enyl)benzene
SMILESCC(=CCCCl)Cc1ccccc1Br
InChIInChI=1S/C12H14BrCl/c1-10(5-4-8-14)9-11-6-2-3-7-12(11)13/h2-3,5-7H,4,8-9H2,1H3
InChIKeyYXKAUYPUCLYDAC-UHFFFAOYSA-N
MW273.60 g/mol
LogP4.57
Rot. Bonds4

About 1-bromo-2-(5-chloro-2-methylpent-2-enyl)benzene

1-bromo-2-(5-chloro-2-methylpent-2-enyl)benzene (PubChem CID 79592669) has the molecular formula C12H14BrCl and a molecular weight of 273.60 g/mol. Its IUPAC name is 1-bromo-2-(5-chloro-2-methylpent-2-enyl)benzene.

Molecular Properties

Compound Name1-bromo-2-(5-chloro-2-methylpent-2-enyl)benzene
PubChem CID79592669
Molecular FormulaC12H14BrCl
Molecular Weight273.60 g/mol
Exact Mass272.00
IUPAC Name1-bromo-2-(5-chloro-2-methylpent-2-enyl)benzene
SMILESCC(=CCCCl)Cc1ccccc1Br
InChIInChI=1S/C12H14BrCl/c1-10(5-4-8-14)9-11-6-2-3-7-12(11)13/h2-3,5-7H,4,8-9H2,1H3
InChIKeyYXKAUYPUCLYDAC-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.60
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-chloro-4-(5-chloro-2-methylpent-2-enyl)benzene
CID 79603110
(NE)-N-[1-(2-bromophenyl)propan-2-ylidene]hydroxylamine
CID 89415418
N-ethyl-4-methyl-5-(2-methylphenyl)pent-3-en-1-amine
CID 79599356
1-(2-bromophenyl)-3,3-dimethylbutan-2-one
CID 59617524
4-methyl-5-(2-methylphenyl)-N-propylpent-3-en-1-amine
CID 79599626
2-(2-bromophenyl)acetyl bromide
CID 87290551
N-[(2-bromophenyl)methyl]acetamide
CID 2824953
methyl 2-(2-bromophenyl)ethanimidate
CID 62830195
N-[(2-bromophenyl)methyl]-2-oxopropanamide
CID 110478310
1-(2-bromophenyl)pentane-2,3-dione
CID 173141263
2-(2-bromophenyl)-N-(chloromethyl)ethanamine
CID 115263436
N-[(2-bromophenyl)methyl]-N-methylhydroxylamine
CID 82613877

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(5-chloro-2-methylpent-2-enyl)benzene?
The IUPAC name of 1-bromo-2-(5-chloro-2-methylpent-2-enyl)benzene (CID 79592669) is 1-bromo-2-(5-chloro-2-methylpent-2-enyl)benzene.
What is the SMILES notation for 1-bromo-2-(5-chloro-2-methylpent-2-enyl)benzene?
The canonical SMILES for 1-bromo-2-(5-chloro-2-methylpent-2-enyl)benzene is CC(=CCCCl)Cc1ccccc1Br.
What is the InChIKey of 1-bromo-2-(5-chloro-2-methylpent-2-enyl)benzene?
The InChIKey is YXKAUYPUCLYDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrCl/c1-10(5-4-8-14)9-11-6-2-3-7-12(11)13/h2-3,5-7H,4,8-9H2,1H3.
What are the key properties of 1-bromo-2-(5-chloro-2-methylpent-2-enyl)benzene?
1-bromo-2-(5-chloro-2-methylpent-2-enyl)benzene has a molecular weight of 273.60 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(5-chloro-2-methylpent-2-enyl)benzene is sourced from PubChem (CID 79592669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).