(2R)-2-hydroxy-2-(2-hydroxyethyl)cyclohexan-1-one

C8H14O3 — CID 130623217

IUPAC(2R)-2-hydroxy-2-(2-hydroxyethyl)cyclohexan-1-one
SMILESO=C1CCCC[C@@]1(O)CCO
InChIInChI=1S/C8H14O3/c9-6-5-8(11)4-2-1-3-7(8)10/h9,11H,1-6H2/t8-/m1/s1
InChIKeyNFXUOWKJPHPQKG-MRVPVSSYSA-N
MW158.20 g/mol
LogP0.24
Rot. Bonds2

About (2R)-2-hydroxy-2-(2-hydroxyethyl)cyclohexan-1-one

(2R)-2-hydroxy-2-(2-hydroxyethyl)cyclohexan-1-one (PubChem CID 130623217) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-(2-hydroxyethyl)cyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-(2-hydroxyethyl)cyclohexan-1-one
PubChem CID130623217
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(2R)-2-hydroxy-2-(2-hydroxyethyl)cyclohexan-1-one
SMILESO=C1CCCC[C@@]1(O)CCO
InChIInChI=1S/C8H14O3/c9-6-5-8(11)4-2-1-3-7(8)10/h9,11H,1-6H2/t8-/m1/s1
InChIKeyNFXUOWKJPHPQKG-MRVPVSSYSA-N
XLogP0.24
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-hydroxy-2-(2-hydroxyethyl)cyclohexan-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 (2R)-2-hydroxy-2-(2-hydroxyethyl)cyclohexan-1-one?
The IUPAC name of (2R)-2-hydroxy-2-(2-hydroxyethyl)cyclohexan-1-one (CID 130623217) is (2R)-2-hydroxy-2-(2-hydroxyethyl)cyclohexan-1-one.
What is the SMILES notation for (2R)-2-hydroxy-2-(2-hydroxyethyl)cyclohexan-1-one?
The canonical SMILES for (2R)-2-hydroxy-2-(2-hydroxyethyl)cyclohexan-1-one is O=C1CCCC[C@@]1(O)CCO.
What is the InChIKey of (2R)-2-hydroxy-2-(2-hydroxyethyl)cyclohexan-1-one?
The InChIKey is NFXUOWKJPHPQKG-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H14O3/c9-6-5-8(11)4-2-1-3-7(8)10/h9,11H,1-6H2/t8-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-(2-hydroxyethyl)cyclohexan-1-one?
(2R)-2-hydroxy-2-(2-hydroxyethyl)cyclohexan-1-one has a molecular weight of 158.20 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-(2-hydroxyethyl)cyclohexan-1-one is sourced from PubChem (CID 130623217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).