1-bromo-4-(cyclohexylmethyl)benzene

C13H17Br — CID 54108075

IUPAC1-bromo-4-(cyclohexylmethyl)benzene
SMILESBrc1ccc(CC2CCCCC2)cc1
InChIInChI=1S/C13H17Br/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2
InChIKeyUTVUWNISUZIEJB-UHFFFAOYSA-N
MW253.18 g/mol
LogP4.57
Rot. Bonds2

About 1-bromo-4-(cyclohexylmethyl)benzene

1-bromo-4-(cyclohexylmethyl)benzene (PubChem CID 54108075) has the molecular formula C13H17Br and a molecular weight of 253.18 g/mol. Its IUPAC name is 1-bromo-4-(cyclohexylmethyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(cyclohexylmethyl)benzene
PubChem CID54108075
Molecular FormulaC13H17Br
Molecular Weight253.18 g/mol
Exact Mass252.05
IUPAC Name1-bromo-4-(cyclohexylmethyl)benzene
SMILESBrc1ccc(CC2CCCCC2)cc1
InChIInChI=1S/C13H17Br/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2
InChIKeyUTVUWNISUZIEJB-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-4-(cyclopentylmethyl)benzene
CID 18754946
1-bromo-4-(2-cyclohexylethyl)benzene
CID 70911699
1-(cyclohexylmethyl)-4-methylbenzene
CID 11008690
[4-(chloromethyl)phenyl]methylcyclooctane
CID 134250550
1,3,5-tris(cyclohexylmethyl)benzene
CID 157164571
1-(cyclohexylmethyl)-4-(trifluoromethyl)benzene
CID 67129674
1-bromo-4-[(3-bromocyclopentyl)methyl]benzene
CID 64509389
4-[(4-bromophenyl)methyl]-1-methylsulfanylpiperidine
CID 166656776
2-[4-[(4-bromophenyl)methyl]piperidin-1-yl]ethanamine
CID 116926572
4-(cyclohexylmethyl)benzoyl iodide
CID 163522101
N-[(4-bromophenyl)methyl]-1-cyclopentylmethanamine
CID 43317301
[2-[(4-bromophenyl)methyl]cyclohexyl]methanamine
CID 81011021

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(cyclohexylmethyl)benzene?
The IUPAC name of 1-bromo-4-(cyclohexylmethyl)benzene (CID 54108075) is 1-bromo-4-(cyclohexylmethyl)benzene.
What is the SMILES notation for 1-bromo-4-(cyclohexylmethyl)benzene?
The canonical SMILES for 1-bromo-4-(cyclohexylmethyl)benzene is Brc1ccc(CC2CCCCC2)cc1.
What is the InChIKey of 1-bromo-4-(cyclohexylmethyl)benzene?
The InChIKey is UTVUWNISUZIEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2.
What are the key properties of 1-bromo-4-(cyclohexylmethyl)benzene?
1-bromo-4-(cyclohexylmethyl)benzene has a molecular weight of 253.18 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(cyclohexylmethyl)benzene is sourced from PubChem (CID 54108075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).