1-(4-hydroxycyclohexyl)propan-1-one

C9H16O2 — CID 51039861

IUPAC1-(4-hydroxycyclohexyl)propan-1-one
SMILESCCC(=O)C1CCC(O)CC1
InChIInChI=1S/C9H16O2/c1-2-9(11)7-3-5-8(10)6-4-7/h7-8,10H,2-6H2,1H3
InChIKeyVYWUFKBAGYHVMJ-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.52
Rot. Bonds2

About 1-(4-hydroxycyclohexyl)propan-1-one

1-(4-hydroxycyclohexyl)propan-1-one (PubChem CID 51039861) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)propan-1-one.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)propan-1-one
PubChem CID51039861
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1-(4-hydroxycyclohexyl)propan-1-one
SMILESCCC(=O)C1CCC(O)CC1
InChIInChI=1S/C9H16O2/c1-2-9(11)7-3-5-8(10)6-4-7/h7-8,10H,2-6H2,1H3
InChIKeyVYWUFKBAGYHVMJ-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-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-(4-hydroxycyclohexyl)propan-1-one?
The IUPAC name of 1-(4-hydroxycyclohexyl)propan-1-one (CID 51039861) is 1-(4-hydroxycyclohexyl)propan-1-one.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)propan-1-one?
The canonical SMILES for 1-(4-hydroxycyclohexyl)propan-1-one is CCC(=O)C1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)propan-1-one?
The InChIKey is VYWUFKBAGYHVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-9(11)7-3-5-8(10)6-4-7/h7-8,10H,2-6H2,1H3.
What are the key properties of 1-(4-hydroxycyclohexyl)propan-1-one?
1-(4-hydroxycyclohexyl)propan-1-one has a molecular weight of 156.22 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)propan-1-one is sourced from PubChem (CID 51039861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).