1-bromo-3-(cyclohexylidenemethyl)benzene

C13H15Br — CID 121281167

IUPAC1-bromo-3-(cyclohexylidenemethyl)benzene
SMILESBrc1cccc(C=C2CCCCC2)c1
InChIInChI=1S/C13H15Br/c14-13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h4,7-10H,1-3,5-6H2
InChIKeyWZMUKAUTURKLIF-UHFFFAOYSA-N
MW251.17 g/mol
LogP4.80
Rot. Bonds1

About 1-bromo-3-(cyclohexylidenemethyl)benzene

1-bromo-3-(cyclohexylidenemethyl)benzene (PubChem CID 121281167) has the molecular formula C13H15Br and a molecular weight of 251.17 g/mol. Its IUPAC name is 1-bromo-3-(cyclohexylidenemethyl)benzene.

Molecular Properties

Compound Name1-bromo-3-(cyclohexylidenemethyl)benzene
PubChem CID121281167
Molecular FormulaC13H15Br
Molecular Weight251.17 g/mol
Exact Mass250.04
IUPAC Name1-bromo-3-(cyclohexylidenemethyl)benzene
SMILESBrc1cccc(C=C2CCCCC2)c1
InChIInChI=1S/C13H15Br/c14-13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h4,7-10H,1-3,5-6H2
InChIKeyWZMUKAUTURKLIF-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.17
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(cyclohexylidenemethyl)benzene?
The IUPAC name of 1-bromo-3-(cyclohexylidenemethyl)benzene (CID 121281167) is 1-bromo-3-(cyclohexylidenemethyl)benzene.
What is the SMILES notation for 1-bromo-3-(cyclohexylidenemethyl)benzene?
The canonical SMILES for 1-bromo-3-(cyclohexylidenemethyl)benzene is Brc1cccc(C=C2CCCCC2)c1.
What is the InChIKey of 1-bromo-3-(cyclohexylidenemethyl)benzene?
The InChIKey is WZMUKAUTURKLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br/c14-13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h4,7-10H,1-3,5-6H2.
What are the key properties of 1-bromo-3-(cyclohexylidenemethyl)benzene?
1-bromo-3-(cyclohexylidenemethyl)benzene has a molecular weight of 251.17 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(cyclohexylidenemethyl)benzene is sourced from PubChem (CID 121281167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).