4-[(3R)-oxolan-3-yl]oxybenzoic acid

C11H12O4 — CID 95979365

IUPAC4-[(3R)-oxolan-3-yl]oxybenzoic acid
SMILESO=C(O)c1ccc(O[C@@H]2CCOC2)cc1
InChIInChI=1S/C11H12O4/c12-11(13)8-1-3-9(4-2-8)15-10-5-6-14-7-10/h1-4,10H,5-7H2,(H,12,13)/t10-/m1/s1
InChIKeyAUPVXELYDOKUDB-SNVBAGLBSA-N
MW208.21 g/mol
LogP1.55
Rot. Bonds3

About 4-[(3R)-oxolan-3-yl]oxybenzoic acid

4-[(3R)-oxolan-3-yl]oxybenzoic acid (PubChem CID 95979365) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 4-[(3R)-oxolan-3-yl]oxybenzoic acid.

Molecular Properties

Compound Name4-[(3R)-oxolan-3-yl]oxybenzoic acid
PubChem CID95979365
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name4-[(3R)-oxolan-3-yl]oxybenzoic acid
SMILESO=C(O)c1ccc(O[C@@H]2CCOC2)cc1
InChIInChI=1S/C11H12O4/c12-11(13)8-1-3-9(4-2-8)15-10-5-6-14-7-10/h1-4,10H,5-7H2,(H,12,13)/t10-/m1/s1
InChIKeyAUPVXELYDOKUDB-SNVBAGLBSA-N
XLogP1.55
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(oxolan-3-yloxy)phenyl]propan-1-one
CID 63557977
6-azaspiro[2.5]octan-6-yl-[4-(oxolan-3-yloxy)phenyl]methanone
CID 136538070
4-(6-oxaspiro[4.5]decan-9-yloxy)benzoic acid
CID 79904986
N'-hydroxy-4-(oxolan-3-yloxy)benzenecarboximidamide
CID 76999043
(3R)-3-(4-iodophenoxy)oxolane
CID 155595271
1-[4-(oxan-4-yloxy)phenyl]ethanone
CID 61288786
4-(oxolan-3-yloxy)pyridine-2-carboxylic acid
CID 63556832
2-(oxolan-3-yloxy)pyridine-4-carboxylic acid
CID 63559237
4-(3-methylcyclobutyl)oxybenzoic acid
CID 156751955
4-[[(2S,3S)-3-(4-carboxyphenoxy)-1,4-dioxan-2-yl]oxy]benzoic acid
CID 2311273
4-(oxan-2-yloxy)benzoic acid
CID 11183645
4-(4-cyclohexyloxyphenyl)benzoic acid
CID 23005106

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-oxolan-3-yl]oxybenzoic acid?
The IUPAC name of 4-[(3R)-oxolan-3-yl]oxybenzoic acid (CID 95979365) is 4-[(3R)-oxolan-3-yl]oxybenzoic acid.
What is the SMILES notation for 4-[(3R)-oxolan-3-yl]oxybenzoic acid?
The canonical SMILES for 4-[(3R)-oxolan-3-yl]oxybenzoic acid is O=C(O)c1ccc(O[C@@H]2CCOC2)cc1.
What is the InChIKey of 4-[(3R)-oxolan-3-yl]oxybenzoic acid?
The InChIKey is AUPVXELYDOKUDB-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12O4/c12-11(13)8-1-3-9(4-2-8)15-10-5-6-14-7-10/h1-4,10H,5-7H2,(H,12,13)/t10-/m1/s1.
What are the key properties of 4-[(3R)-oxolan-3-yl]oxybenzoic acid?
4-[(3R)-oxolan-3-yl]oxybenzoic acid has a molecular weight of 208.21 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-oxolan-3-yl]oxybenzoic acid is sourced from PubChem (CID 95979365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).