3,4,4,5-tetrahydroxy-3-phenylchromen-2-one

C15H12O6 — CID 122421217

IUPAC3,4,4,5-tetrahydroxy-3-phenylchromen-2-one
SMILESO=C1Oc2cccc(O)c2C(O)(O)C1(O)c1ccccc1
InChIInChI=1S/C15H12O6/c16-10-7-4-8-11-12(10)15(19,20)14(18,13(17)21-11)9-5-2-1-3-6-9/h1-8,16,18-20H
InChIKeyFHVUATQDHMQEIU-UHFFFAOYSA-N
MW288.25 g/mol
LogP0.34
Rot. Bonds1

About 3,4,4,5-tetrahydroxy-3-phenylchromen-2-one

3,4,4,5-tetrahydroxy-3-phenylchromen-2-one (PubChem CID 122421217) has the molecular formula C15H12O6 and a molecular weight of 288.25 g/mol. Its IUPAC name is 3,4,4,5-tetrahydroxy-3-phenylchromen-2-one.

Molecular Properties

Compound Name3,4,4,5-tetrahydroxy-3-phenylchromen-2-one
PubChem CID122421217
Molecular FormulaC15H12O6
Molecular Weight288.25 g/mol
Exact Mass288.06
IUPAC Name3,4,4,5-tetrahydroxy-3-phenylchromen-2-one
SMILESO=C1Oc2cccc(O)c2C(O)(O)C1(O)c1ccccc1
InChIInChI=1S/C15H12O6/c16-10-7-4-8-11-12(10)15(19,20)14(18,13(17)21-11)9-5-2-1-3-6-9/h1-8,16,18-20H
InChIKeyFHVUATQDHMQEIU-UHFFFAOYSA-N
XLogP0.34
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 50.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 3,4,4,5-tetrahydroxy-3-phenylchromen-2-one 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 3,4,4,5-tetrahydroxy-3-phenylchromen-2-one?
The IUPAC name of 3,4,4,5-tetrahydroxy-3-phenylchromen-2-one (CID 122421217) is 3,4,4,5-tetrahydroxy-3-phenylchromen-2-one.
What is the SMILES notation for 3,4,4,5-tetrahydroxy-3-phenylchromen-2-one?
The canonical SMILES for 3,4,4,5-tetrahydroxy-3-phenylchromen-2-one is O=C1Oc2cccc(O)c2C(O)(O)C1(O)c1ccccc1.
What is the InChIKey of 3,4,4,5-tetrahydroxy-3-phenylchromen-2-one?
The InChIKey is FHVUATQDHMQEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O6/c16-10-7-4-8-11-12(10)15(19,20)14(18,13(17)21-11)9-5-2-1-3-6-9/h1-8,16,18-20H.
What are the key properties of 3,4,4,5-tetrahydroxy-3-phenylchromen-2-one?
3,4,4,5-tetrahydroxy-3-phenylchromen-2-one has a molecular weight of 288.25 g/mol, XLogP of 0.34, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,5-tetrahydroxy-3-phenylchromen-2-one is sourced from PubChem (CID 122421217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).