(4R)-4-(3-propan-2-ylphenyl)oxolan-3-one

C13H16O2 — CID 125425868

IUPAC(4R)-4-(3-propan-2-ylphenyl)oxolan-3-one
SMILESCC(C)c1cccc([C@@H]2COCC2=O)c1
InChIInChI=1S/C13H16O2/c1-9(2)10-4-3-5-11(6-10)12-7-15-8-13(12)14/h3-6,9,12H,7-8H2,1-2H3/t12-/m0/s1
InChIKeyOGVKKSQMOZJOIK-LBPRGKRZSA-N
MW204.27 g/mol
LogP2.49
Rot. Bonds2

About (4R)-4-(3-propan-2-ylphenyl)oxolan-3-one

(4R)-4-(3-propan-2-ylphenyl)oxolan-3-one (PubChem CID 125425868) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (4R)-4-(3-propan-2-ylphenyl)oxolan-3-one.

Molecular Properties

Compound Name(4R)-4-(3-propan-2-ylphenyl)oxolan-3-one
PubChem CID125425868
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(4R)-4-(3-propan-2-ylphenyl)oxolan-3-one
SMILESCC(C)c1cccc([C@@H]2COCC2=O)c1
InChIInChI=1S/C13H16O2/c1-9(2)10-4-3-5-11(6-10)12-7-15-8-13(12)14/h3-6,9,12H,7-8H2,1-2H3/t12-/m0/s1
InChIKeyOGVKKSQMOZJOIK-LBPRGKRZSA-N
XLogP2.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4R)-4-(3-propan-2-ylphenyl)oxolan-3-one with MolForge

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

Launch Full Analysis

Related Compounds

(4S)-4-(4-propylphenyl)oxolan-3-one
CID 125425709
1-methyl-3-(3-propan-2-ylphenyl)azetidine
CID 166510487
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;ethane
CID 158231247
(4R)-5,5-difluoro-4-(3-propan-2-ylphenyl)-1,3-oxazinan-2-one
CID 171188565
8-(3-propan-2-ylphenyl)azocan-2-one
CID 165492305
3-chloro-4-(3-propan-2-ylphenyl)pyrrolidine-2,5-dione
CID 106694989
3-(3-propan-2-ylphenyl)pyrrolidine
CID 58484109
1,3-di(propan-2-yl)benzene;1,2-di(propan-2-yl)cyclopropane
CID 158171607
trans-(1S,3S)-2,2-dimethyl-3-(3-propan-2-ylphenyl)cyclopropane-1-carboxylic acid
CID 178197587
1-propan-2-yl-3-(3-propan-2-ylcyclohexyl)benzene
CID 174725308
(4R)-4-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one
CID 170782739
1-morpholin-4-yl-2-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone
CID 67401317

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-propan-2-ylphenyl)oxolan-3-one?
The IUPAC name of (4R)-4-(3-propan-2-ylphenyl)oxolan-3-one (CID 125425868) is (4R)-4-(3-propan-2-ylphenyl)oxolan-3-one.
What is the SMILES notation for (4R)-4-(3-propan-2-ylphenyl)oxolan-3-one?
The canonical SMILES for (4R)-4-(3-propan-2-ylphenyl)oxolan-3-one is CC(C)c1cccc([C@@H]2COCC2=O)c1.
What is the InChIKey of (4R)-4-(3-propan-2-ylphenyl)oxolan-3-one?
The InChIKey is OGVKKSQMOZJOIK-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H16O2/c1-9(2)10-4-3-5-11(6-10)12-7-15-8-13(12)14/h3-6,9,12H,7-8H2,1-2H3/t12-/m0/s1.
What are the key properties of (4R)-4-(3-propan-2-ylphenyl)oxolan-3-one?
(4R)-4-(3-propan-2-ylphenyl)oxolan-3-one has a molecular weight of 204.27 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-propan-2-ylphenyl)oxolan-3-one is sourced from PubChem (CID 125425868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).