4-[(3R)-2-oxooxolan-3-yl]benzoic acid

C11H10O4 — CID 86754139

IUPAC4-[(3R)-2-oxooxolan-3-yl]benzoic acid
SMILESO=C(O)c1ccc([C@H]2CCOC2=O)cc1
InChIInChI=1S/C11H10O4/c12-10(13)8-3-1-7(2-4-8)9-5-6-15-11(9)14/h1-4,9H,5-6H2,(H,12,13)/t9-/m1/s1
InChIKeyRQFSTZLEQNAHPZ-SECBINFHSA-N
MW206.20 g/mol
LogP1.42
Rot. Bonds2

About 4-[(3R)-2-oxooxolan-3-yl]benzoic acid

4-[(3R)-2-oxooxolan-3-yl]benzoic acid (PubChem CID 86754139) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 4-[(3R)-2-oxooxolan-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[(3R)-2-oxooxolan-3-yl]benzoic acid
PubChem CID86754139
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name4-[(3R)-2-oxooxolan-3-yl]benzoic acid
SMILESO=C(O)c1ccc([C@H]2CCOC2=O)cc1
InChIInChI=1S/C11H10O4/c12-10(13)8-3-1-7(2-4-8)9-5-6-15-11(9)14/h1-4,9H,5-6H2,(H,12,13)/t9-/m1/s1
InChIKeyRQFSTZLEQNAHPZ-SECBINFHSA-N
XLogP1.42
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(2-oxooxolan-3-yl)benzoate
CID 138963901
ethyl 4-[(3S)-2-oxooxolan-3-yl]benzoate
CID 164681633
3-pyridin-4-yloxolan-2-one
CID 55297132
(3S)-3-(4-methoxyphenyl)oxolan-2-one
CID 124514698
terephthalic acid;dihydrofluoride
CID 70485309
4-[(2S)-oxiran-2-yl]benzoic acid
CID 86313476
4-(1,3,5-trioxan-2-yl)benzoic acid
CID 54533805
4-[(4S)-2-oxoimidazolidin-4-yl]benzoic acid
CID 131480890
terephthalic acid
CID 160582437
4-(5-oxopyrrolidin-2-yl)benzoic acid
CID 126804612
1,4-dimethylcyclohexane;terephthalic acid
CID 66647934
4-(4-methylcyclohexyl)benzoic acid
CID 56632428

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-2-oxooxolan-3-yl]benzoic acid?
The IUPAC name of 4-[(3R)-2-oxooxolan-3-yl]benzoic acid (CID 86754139) is 4-[(3R)-2-oxooxolan-3-yl]benzoic acid.
What is the SMILES notation for 4-[(3R)-2-oxooxolan-3-yl]benzoic acid?
The canonical SMILES for 4-[(3R)-2-oxooxolan-3-yl]benzoic acid is O=C(O)c1ccc([C@H]2CCOC2=O)cc1.
What is the InChIKey of 4-[(3R)-2-oxooxolan-3-yl]benzoic acid?
The InChIKey is RQFSTZLEQNAHPZ-SECBINFHSA-N. The full InChI is InChI=1S/C11H10O4/c12-10(13)8-3-1-7(2-4-8)9-5-6-15-11(9)14/h1-4,9H,5-6H2,(H,12,13)/t9-/m1/s1.
What are the key properties of 4-[(3R)-2-oxooxolan-3-yl]benzoic acid?
4-[(3R)-2-oxooxolan-3-yl]benzoic acid has a molecular weight of 206.20 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-2-oxooxolan-3-yl]benzoic acid is sourced from PubChem (CID 86754139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).