1-bromo-3-(4-prop-2-enylcyclohexyl)benzene

C15H19Br — CID 69372307

IUPAC1-bromo-3-(4-prop-2-enylcyclohexyl)benzene
SMILESC=CCC1CCC(c2cccc(Br)c2)CC1
InChIInChI=1S/C15H19Br/c1-2-4-12-7-9-13(10-8-12)14-5-3-6-15(16)11-14/h2-3,5-6,11-13H,1,4,7-10H2
InChIKeyJIZQTXQRDMMSRC-UHFFFAOYSA-N
MW279.22 g/mol
LogP5.30
Rot. Bonds3

About 1-bromo-3-(4-prop-2-enylcyclohexyl)benzene

1-bromo-3-(4-prop-2-enylcyclohexyl)benzene (PubChem CID 69372307) has the molecular formula C15H19Br and a molecular weight of 279.22 g/mol. Its IUPAC name is 1-bromo-3-(4-prop-2-enylcyclohexyl)benzene.

Molecular Properties

Compound Name1-bromo-3-(4-prop-2-enylcyclohexyl)benzene
PubChem CID69372307
Molecular FormulaC15H19Br
Molecular Weight279.22 g/mol
Exact Mass278.07
IUPAC Name1-bromo-3-(4-prop-2-enylcyclohexyl)benzene
SMILESC=CCC1CCC(c2cccc(Br)c2)CC1
InChIInChI=1S/C15H19Br/c1-2-4-12-7-9-13(10-8-12)14-5-3-6-15(16)11-14/h2-3,5-6,11-13H,1,4,7-10H2
InChIKeyJIZQTXQRDMMSRC-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.22
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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4-(3-bromophenyl)piperidine;hydrochloride
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CID 67853797
1-bromo-3-(4-methylsulfonylcyclohexyl)benzene
CID 138533525
1,3-difluoro-5-(4-prop-2-enylcyclohexyl)-2-(trifluoromethyl)benzene
CID 18658497
carbonic acid;1-cyclohexyl-4-(4-prop-2-enylcyclohexyl)benzene
CID 70500891
1-methyl-2-(4-prop-2-enylcyclohexyl)benzene
CID 173416381
4-[4-[4-(4-prop-2-enylcyclohexyl)cyclohexyl]cyclohexyl]benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(4-prop-2-enylcyclohexyl)benzene?
The IUPAC name of 1-bromo-3-(4-prop-2-enylcyclohexyl)benzene (CID 69372307) is 1-bromo-3-(4-prop-2-enylcyclohexyl)benzene.
What is the SMILES notation for 1-bromo-3-(4-prop-2-enylcyclohexyl)benzene?
The canonical SMILES for 1-bromo-3-(4-prop-2-enylcyclohexyl)benzene is C=CCC1CCC(c2cccc(Br)c2)CC1.
What is the InChIKey of 1-bromo-3-(4-prop-2-enylcyclohexyl)benzene?
The InChIKey is JIZQTXQRDMMSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Br/c1-2-4-12-7-9-13(10-8-12)14-5-3-6-15(16)11-14/h2-3,5-6,11-13H,1,4,7-10H2.
What are the key properties of 1-bromo-3-(4-prop-2-enylcyclohexyl)benzene?
1-bromo-3-(4-prop-2-enylcyclohexyl)benzene has a molecular weight of 279.22 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(4-prop-2-enylcyclohexyl)benzene is sourced from PubChem (CID 69372307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).