(2R,3R)-2-phenyloxolane-3-carboxylic acid

C11H12O3 — CID 51892934

IUPAC(2R,3R)-2-phenyloxolane-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCO[C@H]1c1ccccc1
InChIInChI=1S/C11H12O3/c12-11(13)9-6-7-14-10(9)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,12,13)/t9-,10+/m1/s1
InChIKeyBFRVALJPWDJRTR-ZJUUUORDSA-N
MW192.21 g/mol
LogP1.85
Rot. Bonds2

About (2R,3R)-2-phenyloxolane-3-carboxylic acid

(2R,3R)-2-phenyloxolane-3-carboxylic acid (PubChem CID 51892934) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is (2R,3R)-2-phenyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-2-phenyloxolane-3-carboxylic acid
PubChem CID51892934
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name(2R,3R)-2-phenyloxolane-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCO[C@H]1c1ccccc1
InChIInChI=1S/C11H12O3/c12-11(13)9-6-7-14-10(9)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,12,13)/t9-,10+/m1/s1
InChIKeyBFRVALJPWDJRTR-ZJUUUORDSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-phenyloxolane-3-carboxylic acid?
The IUPAC name of (2R,3R)-2-phenyloxolane-3-carboxylic acid (CID 51892934) is (2R,3R)-2-phenyloxolane-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-2-phenyloxolane-3-carboxylic acid?
The canonical SMILES for (2R,3R)-2-phenyloxolane-3-carboxylic acid is O=C(O)[C@@H]1CCO[C@H]1c1ccccc1.
What is the InChIKey of (2R,3R)-2-phenyloxolane-3-carboxylic acid?
The InChIKey is BFRVALJPWDJRTR-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H12O3/c12-11(13)9-6-7-14-10(9)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,12,13)/t9-,10+/m1/s1.
What are the key properties of (2R,3R)-2-phenyloxolane-3-carboxylic acid?
(2R,3R)-2-phenyloxolane-3-carboxylic acid has a molecular weight of 192.21 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-phenyloxolane-3-carboxylic acid is sourced from PubChem (CID 51892934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).