2-cyclohexyl-2-hydroxy-1-(4-propan-2-ylphenyl)ethanone

C17H24O2 — CID 103457516

IUPAC2-cyclohexyl-2-hydroxy-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)C(O)C2CCCCC2)cc1
InChIInChI=1S/C17H24O2/c1-12(2)13-8-10-15(11-9-13)17(19)16(18)14-6-4-3-5-7-14/h8-12,14,16,18H,3-7H2,1-2H3
InChIKeyIZLGWRIRDSWEJO-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.93
Rot. Bonds4

About 2-cyclohexyl-2-hydroxy-1-(4-propan-2-ylphenyl)ethanone

2-cyclohexyl-2-hydroxy-1-(4-propan-2-ylphenyl)ethanone (PubChem CID 103457516) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-cyclohexyl-2-hydroxy-1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-2-hydroxy-1-(4-propan-2-ylphenyl)ethanone
PubChem CID103457516
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name2-cyclohexyl-2-hydroxy-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)C(O)C2CCCCC2)cc1
InChIInChI=1S/C17H24O2/c1-12(2)13-8-10-15(11-9-13)17(19)16(18)14-6-4-3-5-7-14/h8-12,14,16,18H,3-7H2,1-2H3
InChIKeyIZLGWRIRDSWEJO-UHFFFAOYSA-N
XLogP3.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-hydroxy-1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-cyclohexyl-2-hydroxy-1-(4-propan-2-ylphenyl)ethanone (CID 103457516) is 2-cyclohexyl-2-hydroxy-1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-cyclohexyl-2-hydroxy-1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-cyclohexyl-2-hydroxy-1-(4-propan-2-ylphenyl)ethanone is CC(C)c1ccc(C(=O)C(O)C2CCCCC2)cc1.
What is the InChIKey of 2-cyclohexyl-2-hydroxy-1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is IZLGWRIRDSWEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-12(2)13-8-10-15(11-9-13)17(19)16(18)14-6-4-3-5-7-14/h8-12,14,16,18H,3-7H2,1-2H3.
What are the key properties of 2-cyclohexyl-2-hydroxy-1-(4-propan-2-ylphenyl)ethanone?
2-cyclohexyl-2-hydroxy-1-(4-propan-2-ylphenyl)ethanone has a molecular weight of 260.38 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-hydroxy-1-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 103457516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).