(3S)-3-(4-methoxyphenyl)oxolan-2-one

C11H12O3 — CID 124514698

IUPAC(3S)-3-(4-methoxyphenyl)oxolan-2-one
SMILESCOc1ccc([C@@H]2CCOC2=O)cc1
InChIInChI=1S/C11H12O3/c1-13-9-4-2-8(3-5-9)10-6-7-14-11(10)12/h2-5,10H,6-7H2,1H3/t10-/m0/s1
InChIKeyYDUZDAUTAKKRQK-JTQLQIEISA-N
MW192.21 g/mol
LogP1.73
Rot. Bonds2

About (3S)-3-(4-methoxyphenyl)oxolan-2-one

(3S)-3-(4-methoxyphenyl)oxolan-2-one (PubChem CID 124514698) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is (3S)-3-(4-methoxyphenyl)oxolan-2-one.

Molecular Properties

Compound Name(3S)-3-(4-methoxyphenyl)oxolan-2-one
PubChem CID124514698
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name(3S)-3-(4-methoxyphenyl)oxolan-2-one
SMILESCOc1ccc([C@@H]2CCOC2=O)cc1
InChIInChI=1S/C11H12O3/c1-13-9-4-2-8(3-5-9)10-6-7-14-11(10)12/h2-5,10H,6-7H2,1H3/t10-/m0/s1
InChIKeyYDUZDAUTAKKRQK-JTQLQIEISA-N
XLogP1.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-3-(4-methoxyphenyl)oxolan-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

Related Compounds

methyl 4-(2-oxooxolan-3-yl)benzoate
CID 138963901
3-(4-methoxyphenyl)-6-methyloxan-2-one
CID 70805918
4-[(3R)-2-oxooxolan-3-yl]benzoic acid
CID 86754139
ethyl 4-[(3S)-2-oxooxolan-3-yl]benzoate
CID 164681633
(3R,4R)-3-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methoxymethyl]oxan-2-one
CID 134918174
6-butyl-3-(4-methoxyphenyl)oxan-2-one
CID 21247895
(4S)-4-(6-methoxynaphthalen-2-yl)-1,3-oxazinan-2-one
CID 171185502
(3S)-3-(4-methoxyphenyl)pyrrolidin-2-one
CID 94827666
(3S,4S)-3-(4-methoxyphenyl)-4-methyloxolan-2-one
CID 12063777
(4-methoxyphenyl)methyl 2-oxooxolane-3-carboxylate
CID 141135197
2-[4-(2-oxooxolan-3-yl)phenyl]isoindole-1,3-dione
CID 102495133
(3S)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;(3R)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 139082868

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-methoxyphenyl)oxolan-2-one?
The IUPAC name of (3S)-3-(4-methoxyphenyl)oxolan-2-one (CID 124514698) is (3S)-3-(4-methoxyphenyl)oxolan-2-one.
What is the SMILES notation for (3S)-3-(4-methoxyphenyl)oxolan-2-one?
The canonical SMILES for (3S)-3-(4-methoxyphenyl)oxolan-2-one is COc1ccc([C@@H]2CCOC2=O)cc1.
What is the InChIKey of (3S)-3-(4-methoxyphenyl)oxolan-2-one?
The InChIKey is YDUZDAUTAKKRQK-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12O3/c1-13-9-4-2-8(3-5-9)10-6-7-14-11(10)12/h2-5,10H,6-7H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-3-(4-methoxyphenyl)oxolan-2-one?
(3S)-3-(4-methoxyphenyl)oxolan-2-one has a molecular weight of 192.21 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-methoxyphenyl)oxolan-2-one is sourced from PubChem (CID 124514698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).