(2R,3R)-2-(4-chlorophenyl)oxolane-3-carboxylic acid

C11H11ClO3 — CID 91647701

IUPAC(2R,3R)-2-(4-chlorophenyl)oxolane-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCO[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClO3/c12-8-3-1-7(2-4-8)10-9(11(13)14)5-6-15-10/h1-4,9-10H,5-6H2,(H,13,14)/t9-,10+/m1/s1
InChIKeyUGUJBBPWDUGJLX-ZJUUUORDSA-N
MW226.66 g/mol
LogP2.50
Rot. Bonds2

About (2R,3R)-2-(4-chlorophenyl)oxolane-3-carboxylic acid

(2R,3R)-2-(4-chlorophenyl)oxolane-3-carboxylic acid (PubChem CID 91647701) has the molecular formula C11H11ClO3 and a molecular weight of 226.66 g/mol. Its IUPAC name is (2R,3R)-2-(4-chlorophenyl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-2-(4-chlorophenyl)oxolane-3-carboxylic acid
PubChem CID91647701
Molecular FormulaC11H11ClO3
Molecular Weight226.66 g/mol
Exact Mass226.04
IUPAC Name(2R,3R)-2-(4-chlorophenyl)oxolane-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCO[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClO3/c12-8-3-1-7(2-4-8)10-9(11(13)14)5-6-15-10/h1-4,9-10H,5-6H2,(H,13,14)/t9-,10+/m1/s1
InChIKeyUGUJBBPWDUGJLX-ZJUUUORDSA-N
XLogP2.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(4-Chlorophenyl)-3-hydroxypropanoic acid
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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(4-chlorophenyl)oxolane-3-carboxylic acid?
The IUPAC name of (2R,3R)-2-(4-chlorophenyl)oxolane-3-carboxylic acid (CID 91647701) is (2R,3R)-2-(4-chlorophenyl)oxolane-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-2-(4-chlorophenyl)oxolane-3-carboxylic acid?
The canonical SMILES for (2R,3R)-2-(4-chlorophenyl)oxolane-3-carboxylic acid is O=C(O)[C@@H]1CCO[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (2R,3R)-2-(4-chlorophenyl)oxolane-3-carboxylic acid?
The InChIKey is UGUJBBPWDUGJLX-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H11ClO3/c12-8-3-1-7(2-4-8)10-9(11(13)14)5-6-15-10/h1-4,9-10H,5-6H2,(H,13,14)/t9-,10+/m1/s1.
What are the key properties of (2R,3R)-2-(4-chlorophenyl)oxolane-3-carboxylic acid?
(2R,3R)-2-(4-chlorophenyl)oxolane-3-carboxylic acid has a molecular weight of 226.66 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(4-chlorophenyl)oxolane-3-carboxylic acid is sourced from PubChem (CID 91647701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).