2-(3,5-dihydroxyphenoxy)carbonylcyclopentane-1,1,2-tricarboxylate

C15H11O10-3 — CID 22561139

IUPAC2-(3,5-dihydroxyphenoxy)carbonylcyclopentane-1,1,2-tricarboxylate
SMILESO=C([O-])C1(C(=O)[O-])CCCC1(C(=O)[O-])C(=O)Oc1cc(O)cc(O)c1
InChIInChI=1S/C15H14O10/c16-7-4-8(17)6-9(5-7)25-13(24)15(12(22)23)3-1-2-14(15,10(18)19)11(20)21/h4-6,16-17H,1-3H2,(H,18,19)(H,20,21)(H,22,23)/p-3
InChIKeyDGOLTXWJVIEZBL-UHFFFAOYSA-K
MW351.24 g/mol
LogP-3.59
Rot. Bonds5

About 2-(3,5-dihydroxyphenoxy)carbonylcyclopentane-1,1,2-tricarboxylate

2-(3,5-dihydroxyphenoxy)carbonylcyclopentane-1,1,2-tricarboxylate (PubChem CID 22561139) has the molecular formula C15H11O10-3 and a molecular weight of 351.24 g/mol. Its IUPAC name is 2-(3,5-dihydroxyphenoxy)carbonylcyclopentane-1,1,2-tricarboxylate.

Molecular Properties

Compound Name2-(3,5-dihydroxyphenoxy)carbonylcyclopentane-1,1,2-tricarboxylate
PubChem CID22561139
Molecular FormulaC15H11O10-3
Molecular Weight351.24 g/mol
Exact Mass351.04
IUPAC Name2-(3,5-dihydroxyphenoxy)carbonylcyclopentane-1,1,2-tricarboxylate
SMILESO=C([O-])C1(C(=O)[O-])CCCC1(C(=O)[O-])C(=O)Oc1cc(O)cc(O)c1
InChIInChI=1S/C15H14O10/c16-7-4-8(17)6-9(5-7)25-13(24)15(12(22)23)3-1-2-14(15,10(18)19)11(20)21/h4-6,16-17H,1-3H2,(H,18,19)(H,20,21)(H,22,23)/p-3
InChIKeyDGOLTXWJVIEZBL-UHFFFAOYSA-K
XLogP-3.59
TPSA187.15 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 5-3.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-(3,5-dihydroxyphenoxy)carbonylcyclopentane-1,1,2-tricarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dihydroxyphenoxy)carbonylcyclopentane-1,1,2-tricarboxylate?
The IUPAC name of 2-(3,5-dihydroxyphenoxy)carbonylcyclopentane-1,1,2-tricarboxylate (CID 22561139) is 2-(3,5-dihydroxyphenoxy)carbonylcyclopentane-1,1,2-tricarboxylate.
What is the SMILES notation for 2-(3,5-dihydroxyphenoxy)carbonylcyclopentane-1,1,2-tricarboxylate?
The canonical SMILES for 2-(3,5-dihydroxyphenoxy)carbonylcyclopentane-1,1,2-tricarboxylate is O=C([O-])C1(C(=O)[O-])CCCC1(C(=O)[O-])C(=O)Oc1cc(O)cc(O)c1.
What is the InChIKey of 2-(3,5-dihydroxyphenoxy)carbonylcyclopentane-1,1,2-tricarboxylate?
The InChIKey is DGOLTXWJVIEZBL-UHFFFAOYSA-K. The full InChI is InChI=1S/C15H14O10/c16-7-4-8(17)6-9(5-7)25-13(24)15(12(22)23)3-1-2-14(15,10(18)19)11(20)21/h4-6,16-17H,1-3H2,(H,18,19)(H,20,21)(H,22,23)/p-3.
What are the key properties of 2-(3,5-dihydroxyphenoxy)carbonylcyclopentane-1,1,2-tricarboxylate?
2-(3,5-dihydroxyphenoxy)carbonylcyclopentane-1,1,2-tricarboxylate has a molecular weight of 351.24 g/mol, XLogP of -3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dihydroxyphenoxy)carbonylcyclopentane-1,1,2-tricarboxylate is sourced from PubChem (CID 22561139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).