2,3-dihydroxy-5-oxo-2,3-diphenylcyclopentane-1-carboxylic acid

C18H16O5 — CID 71368350

IUPAC2,3-dihydroxy-5-oxo-2,3-diphenylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1C(=O)CC(O)(c2ccccc2)C1(O)c1ccccc1
InChIInChI=1S/C18H16O5/c19-14-11-17(22,12-7-3-1-4-8-12)18(23,15(14)16(20)21)13-9-5-2-6-10-13/h1-10,15,22-23H,11H2,(H,20,21)
InChIKeyOCECAEFULJSUTJ-UHFFFAOYSA-N
MW312.32 g/mol
LogP1.44
Rot. Bonds3

About 2,3-dihydroxy-5-oxo-2,3-diphenylcyclopentane-1-carboxylic acid

2,3-dihydroxy-5-oxo-2,3-diphenylcyclopentane-1-carboxylic acid (PubChem CID 71368350) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is 2,3-dihydroxy-5-oxo-2,3-diphenylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2,3-dihydroxy-5-oxo-2,3-diphenylcyclopentane-1-carboxylic acid
PubChem CID71368350
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Name2,3-dihydroxy-5-oxo-2,3-diphenylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1C(=O)CC(O)(c2ccccc2)C1(O)c1ccccc1
InChIInChI=1S/C18H16O5/c19-14-11-17(22,12-7-3-1-4-8-12)18(23,15(14)16(20)21)13-9-5-2-6-10-13/h1-10,15,22-23H,11H2,(H,20,21)
InChIKeyOCECAEFULJSUTJ-UHFFFAOYSA-N
XLogP1.44
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

CID 137661543
CID 137661543
CID 99996059
CID 99996059
CID 139585374
CID 139585374
CID 102568744
CID 102568744
CID 129777580
CID 129777580
CID 134947668
CID 134947668
CID 293106
CID 293106
CID 570824
CID 570824
CID 11784252
CID 11784252
CID 12306518
CID 12306518
CID 17827372
CID 17827372
CID 18798662
CID 18798662

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-5-oxo-2,3-diphenylcyclopentane-1-carboxylic acid?
The IUPAC name of 2,3-dihydroxy-5-oxo-2,3-diphenylcyclopentane-1-carboxylic acid (CID 71368350) is 2,3-dihydroxy-5-oxo-2,3-diphenylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2,3-dihydroxy-5-oxo-2,3-diphenylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2,3-dihydroxy-5-oxo-2,3-diphenylcyclopentane-1-carboxylic acid is O=C(O)C1C(=O)CC(O)(c2ccccc2)C1(O)c1ccccc1.
What is the InChIKey of 2,3-dihydroxy-5-oxo-2,3-diphenylcyclopentane-1-carboxylic acid?
The InChIKey is OCECAEFULJSUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5/c19-14-11-17(22,12-7-3-1-4-8-12)18(23,15(14)16(20)21)13-9-5-2-6-10-13/h1-10,15,22-23H,11H2,(H,20,21).
What are the key properties of 2,3-dihydroxy-5-oxo-2,3-diphenylcyclopentane-1-carboxylic acid?
2,3-dihydroxy-5-oxo-2,3-diphenylcyclopentane-1-carboxylic acid has a molecular weight of 312.32 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-5-oxo-2,3-diphenylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 71368350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).