1-bromo-4-(2-bromo-4-cyclohexylbutyl)benzene

C16H22Br2 — CID 63542059

IUPAC1-bromo-4-(2-bromo-4-cyclohexylbutyl)benzene
SMILESBrc1ccc(CC(Br)CCC2CCCCC2)cc1
InChIInChI=1S/C16H22Br2/c17-15-9-7-14(8-10-15)12-16(18)11-6-13-4-2-1-3-5-13/h7-10,13,16H,1-6,11-12H2
InChIKeyGXPVGIRNDPLQSA-UHFFFAOYSA-N
MW374.16 g/mol
LogP6.12
Rot. Bonds5

About 1-bromo-4-(2-bromo-4-cyclohexylbutyl)benzene

1-bromo-4-(2-bromo-4-cyclohexylbutyl)benzene (PubChem CID 63542059) has the molecular formula C16H22Br2 and a molecular weight of 374.16 g/mol. Its IUPAC name is 1-bromo-4-(2-bromo-4-cyclohexylbutyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(2-bromo-4-cyclohexylbutyl)benzene
PubChem CID63542059
Molecular FormulaC16H22Br2
Molecular Weight374.16 g/mol
Exact Mass372.01
IUPAC Name1-bromo-4-(2-bromo-4-cyclohexylbutyl)benzene
SMILESBrc1ccc(CC(Br)CCC2CCCCC2)cc1
InChIInChI=1S/C16H22Br2/c17-15-9-7-14(8-10-15)12-16(18)11-6-13-4-2-1-3-5-13/h7-10,13,16H,1-6,11-12H2
InChIKeyGXPVGIRNDPLQSA-UHFFFAOYSA-N
XLogP6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.16
LogP ≤ 56.12
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

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CID 63543076
1-bromo-4-(2-cyclohexylethyl)benzene
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1-(4-bromophenyl)-3-cyclopentylpropan-1-amine
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1-bromo-4-(cyclopentylmethyl)benzene
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1-amino-2-(4-bromophenyl)-5-cyclohexylpentan-3-ol
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[2-(4-bromophenyl)-1-chloroethyl]cyclooctane
CID 65020959
1,4-dibromo-2-(1-bromo-3-cyclopentylpropyl)benzene
CID 55200090
1-(2-bromo-3-cyclohexylpropyl)-4-methoxybenzene
CID 63544491
1-(4-chlorophenyl)-4-cyclopentylbutan-2-amine
CID 63527017
1-bromo-4-(2-bromo-3-cyclopropylbutyl)benzene
CID 83150733
2-(4-bromophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65425315

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2-bromo-4-cyclohexylbutyl)benzene?
The IUPAC name of 1-bromo-4-(2-bromo-4-cyclohexylbutyl)benzene (CID 63542059) is 1-bromo-4-(2-bromo-4-cyclohexylbutyl)benzene.
What is the SMILES notation for 1-bromo-4-(2-bromo-4-cyclohexylbutyl)benzene?
The canonical SMILES for 1-bromo-4-(2-bromo-4-cyclohexylbutyl)benzene is Brc1ccc(CC(Br)CCC2CCCCC2)cc1.
What is the InChIKey of 1-bromo-4-(2-bromo-4-cyclohexylbutyl)benzene?
The InChIKey is GXPVGIRNDPLQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Br2/c17-15-9-7-14(8-10-15)12-16(18)11-6-13-4-2-1-3-5-13/h7-10,13,16H,1-6,11-12H2.
What are the key properties of 1-bromo-4-(2-bromo-4-cyclohexylbutyl)benzene?
1-bromo-4-(2-bromo-4-cyclohexylbutyl)benzene has a molecular weight of 374.16 g/mol, XLogP of 6.12, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(2-bromo-4-cyclohexylbutyl)benzene is sourced from PubChem (CID 63542059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).