1-bromo-4-cyclohexyloxybenzene

C12H15BrO — CID 11139714

IUPAC1-bromo-4-cyclohexyloxybenzene
SMILESBrc1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C12H15BrO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h6-9,11H,1-5H2
InChIKeyYFUDIBSZKPCLQH-UHFFFAOYSA-N
MW255.15 g/mol
LogP4.16
Rot. Bonds2

About 1-bromo-4-cyclohexyloxybenzene

1-bromo-4-cyclohexyloxybenzene (PubChem CID 11139714) has the molecular formula C12H15BrO and a molecular weight of 255.15 g/mol. Its IUPAC name is 1-bromo-4-cyclohexyloxybenzene.

Molecular Properties

Compound Name1-bromo-4-cyclohexyloxybenzene
PubChem CID11139714
Molecular FormulaC12H15BrO
Molecular Weight255.15 g/mol
Exact Mass254.03
IUPAC Name1-bromo-4-cyclohexyloxybenzene
SMILESBrc1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C12H15BrO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h6-9,11H,1-5H2
InChIKeyYFUDIBSZKPCLQH-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-cyclohexyloxybenzene?
The IUPAC name of 1-bromo-4-cyclohexyloxybenzene (CID 11139714) is 1-bromo-4-cyclohexyloxybenzene.
What is the SMILES notation for 1-bromo-4-cyclohexyloxybenzene?
The canonical SMILES for 1-bromo-4-cyclohexyloxybenzene is Brc1ccc(OC2CCCCC2)cc1.
What is the InChIKey of 1-bromo-4-cyclohexyloxybenzene?
The InChIKey is YFUDIBSZKPCLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h6-9,11H,1-5H2.
What are the key properties of 1-bromo-4-cyclohexyloxybenzene?
1-bromo-4-cyclohexyloxybenzene has a molecular weight of 255.15 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-cyclohexyloxybenzene is sourced from PubChem (CID 11139714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).