1-bromo-4-(4-methylcyclohexyl)benzene

C13H17Br — CID 21137228

IUPAC1-bromo-4-(4-methylcyclohexyl)benzene
SMILESCC1CCC(c2ccc(Br)cc2)CC1
InChIInChI=1S/C13H17Br/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h6-11H,2-5H2,1H3
InChIKeyWCDGQNFVVGCGAY-UHFFFAOYSA-N
MW253.18 g/mol
LogP4.74
Rot. Bonds1

About 1-bromo-4-(4-methylcyclohexyl)benzene

1-bromo-4-(4-methylcyclohexyl)benzene (PubChem CID 21137228) has the molecular formula C13H17Br and a molecular weight of 253.18 g/mol. Its IUPAC name is 1-bromo-4-(4-methylcyclohexyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(4-methylcyclohexyl)benzene
PubChem CID21137228
Molecular FormulaC13H17Br
Molecular Weight253.18 g/mol
Exact Mass252.05
IUPAC Name1-bromo-4-(4-methylcyclohexyl)benzene
SMILESCC1CCC(c2ccc(Br)cc2)CC1
InChIInChI=1S/C13H17Br/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h6-11H,2-5H2,1H3
InChIKeyWCDGQNFVVGCGAY-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-4-cyclopropylbenzene;N-methylmethanamine;hydrochloride
CID 66919211
1-bromo-4-(4-cyclohexylcyclohexyl)benzene
CID 57247187
1-(4-methylcyclohexyl)-4-phenylbenzene
CID 18720904
1-fluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen
CID 158127728
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20580006
1-bromo-4-[4-(4-ethylcyclohexyl)phenyl]benzene
CID 170842748
4-(4-bromophenyl)cyclohexane-1-carbaldehyde
CID 19097901
1-methoxy-4-(4-methylcyclohexyl)benzene;hydrate
CID 144745908
4-(4-methylcyclohexyl)benzonitrile
CID 18464047
2-[4-(4-methylcyclohexyl)phenyl]propan-2-amine
CID 117335176
4-(4-bromophenyl)piperidine;hydrochloride
CID 44630758
(4-methylcyclohexyl)benzene;yttrium(3+)
CID 18720907

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-methylcyclohexyl)benzene?
The IUPAC name of 1-bromo-4-(4-methylcyclohexyl)benzene (CID 21137228) is 1-bromo-4-(4-methylcyclohexyl)benzene.
What is the SMILES notation for 1-bromo-4-(4-methylcyclohexyl)benzene?
The canonical SMILES for 1-bromo-4-(4-methylcyclohexyl)benzene is CC1CCC(c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-bromo-4-(4-methylcyclohexyl)benzene?
The InChIKey is WCDGQNFVVGCGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h6-11H,2-5H2,1H3.
What are the key properties of 1-bromo-4-(4-methylcyclohexyl)benzene?
1-bromo-4-(4-methylcyclohexyl)benzene has a molecular weight of 253.18 g/mol, XLogP of 4.74, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(4-methylcyclohexyl)benzene is sourced from PubChem (CID 21137228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).