1-bromo-2-cyclohexylbenzene

C12H15Br — CID 10944502

IUPAC1-bromo-2-cyclohexylbenzene
SMILESBrc1ccccc1C1CCCCC1
InChIInChI=1S/C12H15Br/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2
InChIKeyBXMDAGGQRIDSPA-UHFFFAOYSA-N
MW239.16 g/mol
LogP4.50
Rot. Bonds1

About 1-bromo-2-cyclohexylbenzene

1-bromo-2-cyclohexylbenzene (PubChem CID 10944502) has the molecular formula C12H15Br and a molecular weight of 239.16 g/mol. Its IUPAC name is 1-bromo-2-cyclohexylbenzene.

Molecular Properties

Compound Name1-bromo-2-cyclohexylbenzene
PubChem CID10944502
Molecular FormulaC12H15Br
Molecular Weight239.16 g/mol
Exact Mass238.04
IUPAC Name1-bromo-2-cyclohexylbenzene
SMILESBrc1ccccc1C1CCCCC1
InChIInChI=1S/C12H15Br/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2
InChIKeyBXMDAGGQRIDSPA-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-cyclohexylbenzene?
The IUPAC name of 1-bromo-2-cyclohexylbenzene (CID 10944502) is 1-bromo-2-cyclohexylbenzene.
What is the SMILES notation for 1-bromo-2-cyclohexylbenzene?
The canonical SMILES for 1-bromo-2-cyclohexylbenzene is Brc1ccccc1C1CCCCC1.
What is the InChIKey of 1-bromo-2-cyclohexylbenzene?
The InChIKey is BXMDAGGQRIDSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2.
What are the key properties of 1-bromo-2-cyclohexylbenzene?
1-bromo-2-cyclohexylbenzene has a molecular weight of 239.16 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-cyclohexylbenzene is sourced from PubChem (CID 10944502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).