4-butan-2-yl-2-cyclohexylphenol

C16H24O — CID 21489929

IUPAC4-butan-2-yl-2-cyclohexylphenol
SMILESCCC(C)c1ccc(O)c(C2CCCCC2)c1
InChIInChI=1S/C16H24O/c1-3-12(2)14-9-10-16(17)15(11-14)13-7-5-4-6-8-13/h9-13,17H,3-8H2,1-2H3
InChIKeyOZVWCKROQYZGPB-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.95
Rot. Bonds3

About 4-butan-2-yl-2-cyclohexylphenol

4-butan-2-yl-2-cyclohexylphenol (PubChem CID 21489929) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-butan-2-yl-2-cyclohexylphenol.

Molecular Properties

Compound Name4-butan-2-yl-2-cyclohexylphenol
PubChem CID21489929
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name4-butan-2-yl-2-cyclohexylphenol
SMILESCCC(C)c1ccc(O)c(C2CCCCC2)c1
InChIInChI=1S/C16H24O/c1-3-12(2)14-9-10-16(17)15(11-14)13-7-5-4-6-8-13/h9-13,17H,3-8H2,1-2H3
InChIKeyOZVWCKROQYZGPB-UHFFFAOYSA-N
XLogP4.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-2-cyclohexylphenol?
The IUPAC name of 4-butan-2-yl-2-cyclohexylphenol (CID 21489929) is 4-butan-2-yl-2-cyclohexylphenol.
What is the SMILES notation for 4-butan-2-yl-2-cyclohexylphenol?
The canonical SMILES for 4-butan-2-yl-2-cyclohexylphenol is CCC(C)c1ccc(O)c(C2CCCCC2)c1.
What is the InChIKey of 4-butan-2-yl-2-cyclohexylphenol?
The InChIKey is OZVWCKROQYZGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-3-12(2)14-9-10-16(17)15(11-14)13-7-5-4-6-8-13/h9-13,17H,3-8H2,1-2H3.
What are the key properties of 4-butan-2-yl-2-cyclohexylphenol?
4-butan-2-yl-2-cyclohexylphenol has a molecular weight of 232.37 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-2-cyclohexylphenol is sourced from PubChem (CID 21489929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).