1-bromo-2-(1-methylcyclohexyl)benzene

C13H17Br — CID 131090981

IUPAC1-bromo-2-(1-methylcyclohexyl)benzene
SMILESCC1(c2ccccc2Br)CCCCC1
InChIInChI=1S/C13H17Br/c1-13(9-5-2-6-10-13)11-7-3-4-8-12(11)14/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyFPTUMRJHGIMFLM-UHFFFAOYSA-N
MW253.18 g/mol
LogP4.67
Rot. Bonds1

About 1-bromo-2-(1-methylcyclohexyl)benzene

1-bromo-2-(1-methylcyclohexyl)benzene (PubChem CID 131090981) has the molecular formula C13H17Br and a molecular weight of 253.18 g/mol. Its IUPAC name is 1-bromo-2-(1-methylcyclohexyl)benzene.

Molecular Properties

Compound Name1-bromo-2-(1-methylcyclohexyl)benzene
PubChem CID131090981
Molecular FormulaC13H17Br
Molecular Weight253.18 g/mol
Exact Mass252.05
IUPAC Name1-bromo-2-(1-methylcyclohexyl)benzene
SMILESCC1(c2ccccc2Br)CCCCC1
InChIInChI=1S/C13H17Br/c1-13(9-5-2-6-10-13)11-7-3-4-8-12(11)14/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyFPTUMRJHGIMFLM-UHFFFAOYSA-N
XLogP4.67
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 ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(1-methylcyclohexyl)benzene?
The IUPAC name of 1-bromo-2-(1-methylcyclohexyl)benzene (CID 131090981) is 1-bromo-2-(1-methylcyclohexyl)benzene.
What is the SMILES notation for 1-bromo-2-(1-methylcyclohexyl)benzene?
The canonical SMILES for 1-bromo-2-(1-methylcyclohexyl)benzene is CC1(c2ccccc2Br)CCCCC1.
What is the InChIKey of 1-bromo-2-(1-methylcyclohexyl)benzene?
The InChIKey is FPTUMRJHGIMFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br/c1-13(9-5-2-6-10-13)11-7-3-4-8-12(11)14/h3-4,7-8H,2,5-6,9-10H2,1H3.
What are the key properties of 1-bromo-2-(1-methylcyclohexyl)benzene?
1-bromo-2-(1-methylcyclohexyl)benzene has a molecular weight of 253.18 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(1-methylcyclohexyl)benzene is sourced from PubChem (CID 131090981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).