1-(2-hydroxycyclohexyl)-3-methoxypropan-2-one

C10H18O3 — CID 79416887

IUPAC1-(2-hydroxycyclohexyl)-3-methoxypropan-2-one
SMILESCOCC(=O)CC1CCCCC1O
InChIInChI=1S/C10H18O3/c1-13-7-9(11)6-8-4-2-3-5-10(8)12/h8,10,12H,2-7H2,1H3
InChIKeyZZZOPPGSQISDPK-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.14
Rot. Bonds4

About 1-(2-hydroxycyclohexyl)-3-methoxypropan-2-one

1-(2-hydroxycyclohexyl)-3-methoxypropan-2-one (PubChem CID 79416887) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(2-hydroxycyclohexyl)-3-methoxypropan-2-one.

Molecular Properties

Compound Name1-(2-hydroxycyclohexyl)-3-methoxypropan-2-one
PubChem CID79416887
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name1-(2-hydroxycyclohexyl)-3-methoxypropan-2-one
SMILESCOCC(=O)CC1CCCCC1O
InChIInChI=1S/C10H18O3/c1-13-7-9(11)6-8-4-2-3-5-10(8)12/h8,10,12H,2-7H2,1H3
InChIKeyZZZOPPGSQISDPK-UHFFFAOYSA-N
XLogP1.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-hydroxycyclohexyl)-3-methoxypropan-2-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-(2-hydroxycyclohexyl)-3-methoxypropan-2-one?
The IUPAC name of 1-(2-hydroxycyclohexyl)-3-methoxypropan-2-one (CID 79416887) is 1-(2-hydroxycyclohexyl)-3-methoxypropan-2-one.
What is the SMILES notation for 1-(2-hydroxycyclohexyl)-3-methoxypropan-2-one?
The canonical SMILES for 1-(2-hydroxycyclohexyl)-3-methoxypropan-2-one is COCC(=O)CC1CCCCC1O.
What is the InChIKey of 1-(2-hydroxycyclohexyl)-3-methoxypropan-2-one?
The InChIKey is ZZZOPPGSQISDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-13-7-9(11)6-8-4-2-3-5-10(8)12/h8,10,12H,2-7H2,1H3.
What are the key properties of 1-(2-hydroxycyclohexyl)-3-methoxypropan-2-one?
1-(2-hydroxycyclohexyl)-3-methoxypropan-2-one has a molecular weight of 186.25 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxycyclohexyl)-3-methoxypropan-2-one is sourced from PubChem (CID 79416887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).