2-bromo-4-cyclohexylphenol

C12H15BrO — CID 519121

IUPAC2-bromo-4-cyclohexylphenol
SMILESOc1ccc(C2CCCCC2)cc1Br
InChIInChI=1S/C12H15BrO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h6-9,14H,1-5H2
InChIKeyDSYPBKQKCSJRHB-UHFFFAOYSA-N
MW255.15 g/mol
LogP4.20
Rot. Bonds1

About 2-bromo-4-cyclohexylphenol

2-bromo-4-cyclohexylphenol (PubChem CID 519121) has the molecular formula C12H15BrO and a molecular weight of 255.15 g/mol. Its IUPAC name is 2-bromo-4-cyclohexylphenol.

Molecular Properties

Compound Name2-bromo-4-cyclohexylphenol
PubChem CID519121
Molecular FormulaC12H15BrO
Molecular Weight255.15 g/mol
Exact Mass254.03
IUPAC Name2-bromo-4-cyclohexylphenol
SMILESOc1ccc(C2CCCCC2)cc1Br
InChIInChI=1S/C12H15BrO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h6-9,14H,1-5H2
InChIKeyDSYPBKQKCSJRHB-UHFFFAOYSA-N
XLogP4.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-cyclohexylphenol?
The IUPAC name of 2-bromo-4-cyclohexylphenol (CID 519121) is 2-bromo-4-cyclohexylphenol.
What is the SMILES notation for 2-bromo-4-cyclohexylphenol?
The canonical SMILES for 2-bromo-4-cyclohexylphenol is Oc1ccc(C2CCCCC2)cc1Br.
What is the InChIKey of 2-bromo-4-cyclohexylphenol?
The InChIKey is DSYPBKQKCSJRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h6-9,14H,1-5H2.
What are the key properties of 2-bromo-4-cyclohexylphenol?
2-bromo-4-cyclohexylphenol has a molecular weight of 255.15 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-cyclohexylphenol is sourced from PubChem (CID 519121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).