3-phenyloxolane-2-carboxylic acid

C11H12O3 — CID 122200609

IUPAC3-phenyloxolane-2-carboxylic acid
SMILESO=C(O)C1OCCC1c1ccccc1
InChIInChI=1S/C11H12O3/c12-11(13)10-9(6-7-14-10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,12,13)
InChIKeySXFRYWQSHMYMKU-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.64
Rot. Bonds2

About 3-phenyloxolane-2-carboxylic acid

3-phenyloxolane-2-carboxylic acid (PubChem CID 122200609) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 3-phenyloxolane-2-carboxylic acid.

Molecular Properties

Compound Name3-phenyloxolane-2-carboxylic acid
PubChem CID122200609
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name3-phenyloxolane-2-carboxylic acid
SMILESO=C(O)C1OCCC1c1ccccc1
InChIInChI=1S/C11H12O3/c12-11(13)10-9(6-7-14-10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,12,13)
InChIKeySXFRYWQSHMYMKU-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-3-phenyloxane-2-carboxylic acid
CID 136589536
tert-butyl (2S,3S)-3-phenyloxolane-2-carboxylate
CID 11054002
(2S,3S)-3-phenyloxirane-2-carboxylic acid
CID 906621
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
3-phenyl-2-propan-2-yloxolane
CID 157227826
[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]-[(2R,3R)-3-phenyloxolan-2-yl]methanone
CID 136583873
(2S,3S)-3-phenyl-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 10658583
potassium 3-phenyloxirane-2-carboxylic acid
CID 54603648
CID 131880928
CID 131880928
phenyl-(2-phenyloxolan-3-yl)methanone
CID 73097073
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
(2R,3R)-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-3-phenyloxolane-2-carboxamide
CID 136583936

Frequently Asked Questions

What is the IUPAC name of 3-phenyloxolane-2-carboxylic acid?
The IUPAC name of 3-phenyloxolane-2-carboxylic acid (CID 122200609) is 3-phenyloxolane-2-carboxylic acid.
What is the SMILES notation for 3-phenyloxolane-2-carboxylic acid?
The canonical SMILES for 3-phenyloxolane-2-carboxylic acid is O=C(O)C1OCCC1c1ccccc1.
What is the InChIKey of 3-phenyloxolane-2-carboxylic acid?
The InChIKey is SXFRYWQSHMYMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c12-11(13)10-9(6-7-14-10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,12,13).
What are the key properties of 3-phenyloxolane-2-carboxylic acid?
3-phenyloxolane-2-carboxylic acid has a molecular weight of 192.21 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyloxolane-2-carboxylic acid is sourced from PubChem (CID 122200609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).