4-bromo-2-cyclohexylphenol

C12H15BrO — CID 22134516

IUPAC4-bromo-2-cyclohexylphenol
SMILESOc1ccc(Br)cc1C1CCCCC1
InChIInChI=1S/C12H15BrO/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h6-9,14H,1-5H2
InChIKeyQQVRKOIEEIGPMK-UHFFFAOYSA-N
MW255.15 g/mol
LogP4.20
Rot. Bonds1

About 4-bromo-2-cyclohexylphenol

4-bromo-2-cyclohexylphenol (PubChem CID 22134516) has the molecular formula C12H15BrO and a molecular weight of 255.15 g/mol. Its IUPAC name is 4-bromo-2-cyclohexylphenol.

Molecular Properties

Compound Name4-bromo-2-cyclohexylphenol
PubChem CID22134516
Molecular FormulaC12H15BrO
Molecular Weight255.15 g/mol
Exact Mass254.03
IUPAC Name4-bromo-2-cyclohexylphenol
SMILESOc1ccc(Br)cc1C1CCCCC1
InChIInChI=1S/C12H15BrO/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h6-9,14H,1-5H2
InChIKeyQQVRKOIEEIGPMK-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 4-bromo-2-cyclohexylphenol?
The IUPAC name of 4-bromo-2-cyclohexylphenol (CID 22134516) is 4-bromo-2-cyclohexylphenol.
What is the SMILES notation for 4-bromo-2-cyclohexylphenol?
The canonical SMILES for 4-bromo-2-cyclohexylphenol is Oc1ccc(Br)cc1C1CCCCC1.
What is the InChIKey of 4-bromo-2-cyclohexylphenol?
The InChIKey is QQVRKOIEEIGPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h6-9,14H,1-5H2.
What are the key properties of 4-bromo-2-cyclohexylphenol?
4-bromo-2-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 4-bromo-2-cyclohexylphenol is sourced from PubChem (CID 22134516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).