3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one

C16H22O2 — CID 10514592

IUPAC3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)C(O)C1CCCCC1
InChIInChI=1S/C16H22O2/c1-12(15(17)13-8-4-2-5-9-13)16(18)14-10-6-3-7-11-14/h2,4-5,8-9,12,14,16,18H,3,6-7,10-11H2,1H3
InChIKeyPIBLHZAVEPUFNE-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.45
Rot. Bonds4

About 3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one

3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one (PubChem CID 10514592) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one
PubChem CID10514592
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)C(O)C1CCCCC1
InChIInChI=1S/C16H22O2/c1-12(15(17)13-8-4-2-5-9-13)16(18)14-10-6-3-7-11-14/h2,4-5,8-9,12,14,16,18H,3,6-7,10-11H2,1H3
InChIKeyPIBLHZAVEPUFNE-UHFFFAOYSA-N
XLogP3.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one?
The IUPAC name of 3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one (CID 10514592) is 3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one.
What is the SMILES notation for 3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one?
The canonical SMILES for 3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one is CC(C(=O)c1ccccc1)C(O)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one?
The InChIKey is PIBLHZAVEPUFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-12(15(17)13-8-4-2-5-9-13)16(18)14-10-6-3-7-11-14/h2,4-5,8-9,12,14,16,18H,3,6-7,10-11H2,1H3.
What are the key properties of 3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one?
3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one has a molecular weight of 246.35 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one is sourced from PubChem (CID 10514592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).