2-(oxolan-3-yl)benzoic acid

C11H12O3 — CID 83830028

IUPAC2-(oxolan-3-yl)benzoic acid
SMILESO=C(O)c1ccccc1C1CCOC1
InChIInChI=1S/C11H12O3/c12-11(13)10-4-2-1-3-9(10)8-5-6-14-7-8/h1-4,8H,5-7H2,(H,12,13)
InChIKeyDRUSPOIDJOQEGX-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.89
Rot. Bonds2

About 2-(oxolan-3-yl)benzoic acid

2-(oxolan-3-yl)benzoic acid (PubChem CID 83830028) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2-(oxolan-3-yl)benzoic acid.

Molecular Properties

Compound Name2-(oxolan-3-yl)benzoic acid
PubChem CID83830028
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name2-(oxolan-3-yl)benzoic acid
SMILESO=C(O)c1ccccc1C1CCOC1
InChIInChI=1S/C11H12O3/c12-11(13)10-4-2-1-3-9(10)8-5-6-14-7-8/h1-4,8H,5-7H2,(H,12,13)
InChIKeyDRUSPOIDJOQEGX-UHFFFAOYSA-N
XLogP1.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-oxo-2-[2-(oxolan-3-yl)phenyl]acetic acid
CID 117313844
2-(dioxolan-4-yl)benzoic acid
CID 87618299
2-(oxan-4-yl)benzoyl iodide
CID 118183273
1-[2-(oxolan-3-yl)phenyl]propan-2-one
CID 83832522
2-[2-(oxetan-3-yl)phenyl]-2-oxoacetic acid
CID 117294443
2-(1-hydroxypiperidin-4-yl)benzoic acid
CID 19784857
2-methyl-3-[2-(oxolan-3-yl)phenyl]propanoic acid
CID 83841508
4-amino-4-[2-(oxolan-3-yl)phenyl]butanoic acid
CID 117376430
(3R)-3-phenyloxolane
CID 92859476
2-(3-bromocyclopentyl)benzoic acid
CID 151009009
2-[(3R)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]benzoic acid
CID 95710485
2-[(4R,5R)-5-(2-carboxyphenyl)dithian-4-yl]benzoic acid
CID 172826121

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)benzoic acid?
The IUPAC name of 2-(oxolan-3-yl)benzoic acid (CID 83830028) is 2-(oxolan-3-yl)benzoic acid.
What is the SMILES notation for 2-(oxolan-3-yl)benzoic acid?
The canonical SMILES for 2-(oxolan-3-yl)benzoic acid is O=C(O)c1ccccc1C1CCOC1.
What is the InChIKey of 2-(oxolan-3-yl)benzoic acid?
The InChIKey is DRUSPOIDJOQEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c12-11(13)10-4-2-1-3-9(10)8-5-6-14-7-8/h1-4,8H,5-7H2,(H,12,13).
What are the key properties of 2-(oxolan-3-yl)benzoic acid?
2-(oxolan-3-yl)benzoic acid has a molecular weight of 192.21 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)benzoic acid is sourced from PubChem (CID 83830028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).