1-(1-bromo-2-cyclopropylethyl)-4-chlorobenzene

C11H12BrCl — CID 63437413

IUPAC1-(1-bromo-2-cyclopropylethyl)-4-chlorobenzene
SMILESClc1ccc(C(Br)CC2CC2)cc1
InChIInChI=1S/C11H12BrCl/c12-11(7-8-1-2-8)9-3-5-10(13)6-4-9/h3-6,8,11H,1-2,7H2
InChIKeyOFMATNDZNSNIHE-UHFFFAOYSA-N
MW259.57 g/mol
LogP4.58
Rot. Bonds3

About 1-(1-bromo-2-cyclopropylethyl)-4-chlorobenzene

1-(1-bromo-2-cyclopropylethyl)-4-chlorobenzene (PubChem CID 63437413) has the molecular formula C11H12BrCl and a molecular weight of 259.57 g/mol. Its IUPAC name is 1-(1-bromo-2-cyclopropylethyl)-4-chlorobenzene.

Molecular Properties

Compound Name1-(1-bromo-2-cyclopropylethyl)-4-chlorobenzene
PubChem CID63437413
Molecular FormulaC11H12BrCl
Molecular Weight259.57 g/mol
Exact Mass257.98
IUPAC Name1-(1-bromo-2-cyclopropylethyl)-4-chlorobenzene
SMILESClc1ccc(C(Br)CC2CC2)cc1
InChIInChI=1S/C11H12BrCl/c12-11(7-8-1-2-8)9-3-5-10(13)6-4-9/h3-6,8,11H,1-2,7H2
InChIKeyOFMATNDZNSNIHE-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.57
LogP ≤ 54.58
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

1-(1-bromo-2-cyclopropylethyl)-4-(2-methylpropyl)benzene
CID 63435610
2-(1-bromo-2-cyclopropylethyl)-1,4-dichlorobenzene
CID 63444578
4-(1-bromo-2-cyclopentylethyl)-1,2-difluorobenzene
CID 63439985
[1-(4-chlorophenyl)-2-cyclopropylethyl]hydrazine
CID 105193196
[2-bromo-2-(4-tert-butylphenyl)ethyl]cycloheptane
CID 114458720
[2-bromo-2-(4-ethylphenyl)ethyl]cycloheptane
CID 114458721
1-(1-bromo-2-cyclobutylethyl)-4-methoxybenzene
CID 103165731
1-(1-bromo-2-cyclobutylethyl)-4-(2-methylpropyl)benzene
CID 103165712
1-[(1S)-1-bromo-3-chloropropyl]-4-chlorobenzene
CID 99639334
1-chloro-4-(1,2-dicyclohexylethyl)benzene
CID 57050049
4-(1-bromo-2-cyclopentylethyl)-2-chloro-1-methoxybenzene
CID 63439505
1-chloro-4-[[(4-chlorophenyl)-cyclopropylmethoxy]-cyclopropylmethyl]benzene
CID 139592650

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-2-cyclopropylethyl)-4-chlorobenzene?
The IUPAC name of 1-(1-bromo-2-cyclopropylethyl)-4-chlorobenzene (CID 63437413) is 1-(1-bromo-2-cyclopropylethyl)-4-chlorobenzene.
What is the SMILES notation for 1-(1-bromo-2-cyclopropylethyl)-4-chlorobenzene?
The canonical SMILES for 1-(1-bromo-2-cyclopropylethyl)-4-chlorobenzene is Clc1ccc(C(Br)CC2CC2)cc1.
What is the InChIKey of 1-(1-bromo-2-cyclopropylethyl)-4-chlorobenzene?
The InChIKey is OFMATNDZNSNIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrCl/c12-11(7-8-1-2-8)9-3-5-10(13)6-4-9/h3-6,8,11H,1-2,7H2.
What are the key properties of 1-(1-bromo-2-cyclopropylethyl)-4-chlorobenzene?
1-(1-bromo-2-cyclopropylethyl)-4-chlorobenzene has a molecular weight of 259.57 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-2-cyclopropylethyl)-4-chlorobenzene is sourced from PubChem (CID 63437413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).