1-(1-hydroxycyclohexyl)propan-1-one

C9H16O2 — CID 10012141

IUPAC1-(1-hydroxycyclohexyl)propan-1-one
SMILESCCC(=O)C1(O)CCCCC1
InChIInChI=1S/C9H16O2/c1-2-8(10)9(11)6-4-3-5-7-9/h11H,2-7H2,1H3
InChIKeyKEYITGBXFVXYTM-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.66
Rot. Bonds2

About 1-(1-hydroxycyclohexyl)propan-1-one

1-(1-hydroxycyclohexyl)propan-1-one (PubChem CID 10012141) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1-(1-hydroxycyclohexyl)propan-1-one.

Molecular Properties

Compound Name1-(1-hydroxycyclohexyl)propan-1-one
PubChem CID10012141
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1-(1-hydroxycyclohexyl)propan-1-one
SMILESCCC(=O)C1(O)CCCCC1
InChIInChI=1S/C9H16O2/c1-2-8(10)9(11)6-4-3-5-7-9/h11H,2-7H2,1H3
InChIKeyKEYITGBXFVXYTM-UHFFFAOYSA-N
XLogP1.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-hydroxycyclohexyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxycyclohexyl)propan-1-one?
The IUPAC name of 1-(1-hydroxycyclohexyl)propan-1-one (CID 10012141) is 1-(1-hydroxycyclohexyl)propan-1-one.
What is the SMILES notation for 1-(1-hydroxycyclohexyl)propan-1-one?
The canonical SMILES for 1-(1-hydroxycyclohexyl)propan-1-one is CCC(=O)C1(O)CCCCC1.
What is the InChIKey of 1-(1-hydroxycyclohexyl)propan-1-one?
The InChIKey is KEYITGBXFVXYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-8(10)9(11)6-4-3-5-7-9/h11H,2-7H2,1H3.
What are the key properties of 1-(1-hydroxycyclohexyl)propan-1-one?
1-(1-hydroxycyclohexyl)propan-1-one has a molecular weight of 156.22 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxycyclohexyl)propan-1-one is sourced from PubChem (CID 10012141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).