3-hydroxy-2-(3-hydroxy-4-pyrrolidin-1-ylphenyl)benzo[h]chromen-4-one

C23H19NO4 — CID 56945296

IUPAC3-hydroxy-2-(3-hydroxy-4-pyrrolidin-1-ylphenyl)benzo[h]chromen-4-one
SMILESO=c1c(O)c(-c2ccc(N3CCCC3)c(O)c2)oc2c1ccc1ccccc12
InChIInChI=1S/C23H19NO4/c25-19-13-15(8-10-18(19)24-11-3-4-12-24)22-21(27)20(26)17-9-7-14-5-1-2-6-16(14)23(17)28-22/h1-2,5-10,13,25,27H,3-4,11-12H2
InChIKeyFKXZGHWYWGMSSQ-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.62
Rot. Bonds2

About 3-hydroxy-2-(3-hydroxy-4-pyrrolidin-1-ylphenyl)benzo[h]chromen-4-one

3-hydroxy-2-(3-hydroxy-4-pyrrolidin-1-ylphenyl)benzo[h]chromen-4-one (PubChem CID 56945296) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 3-hydroxy-2-(3-hydroxy-4-pyrrolidin-1-ylphenyl)benzo[h]chromen-4-one.

Molecular Properties

Compound Name3-hydroxy-2-(3-hydroxy-4-pyrrolidin-1-ylphenyl)benzo[h]chromen-4-one
PubChem CID56945296
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name3-hydroxy-2-(3-hydroxy-4-pyrrolidin-1-ylphenyl)benzo[h]chromen-4-one
SMILESO=c1c(O)c(-c2ccc(N3CCCC3)c(O)c2)oc2c1ccc1ccccc12
InChIInChI=1S/C23H19NO4/c25-19-13-15(8-10-18(19)24-11-3-4-12-24)22-21(27)20(26)17-9-7-14-5-1-2-6-16(14)23(17)28-22/h1-2,5-10,13,25,27H,3-4,11-12H2
InChIKeyFKXZGHWYWGMSSQ-UHFFFAOYSA-N
XLogP4.62
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-hydroxy-2-(3-hydroxy-4-pyrrolidin-1-ylphenyl)benzo[h]chromen-4-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-hydroxy-2-(3-hydroxy-4-pyrrolidin-1-ylphenyl)benzo[h]chromen-4-one?
The IUPAC name of 3-hydroxy-2-(3-hydroxy-4-pyrrolidin-1-ylphenyl)benzo[h]chromen-4-one (CID 56945296) is 3-hydroxy-2-(3-hydroxy-4-pyrrolidin-1-ylphenyl)benzo[h]chromen-4-one.
What is the SMILES notation for 3-hydroxy-2-(3-hydroxy-4-pyrrolidin-1-ylphenyl)benzo[h]chromen-4-one?
The canonical SMILES for 3-hydroxy-2-(3-hydroxy-4-pyrrolidin-1-ylphenyl)benzo[h]chromen-4-one is O=c1c(O)c(-c2ccc(N3CCCC3)c(O)c2)oc2c1ccc1ccccc12.
What is the InChIKey of 3-hydroxy-2-(3-hydroxy-4-pyrrolidin-1-ylphenyl)benzo[h]chromen-4-one?
The InChIKey is FKXZGHWYWGMSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c25-19-13-15(8-10-18(19)24-11-3-4-12-24)22-21(27)20(26)17-9-7-14-5-1-2-6-16(14)23(17)28-22/h1-2,5-10,13,25,27H,3-4,11-12H2.
What are the key properties of 3-hydroxy-2-(3-hydroxy-4-pyrrolidin-1-ylphenyl)benzo[h]chromen-4-one?
3-hydroxy-2-(3-hydroxy-4-pyrrolidin-1-ylphenyl)benzo[h]chromen-4-one has a molecular weight of 373.41 g/mol, XLogP of 4.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(3-hydroxy-4-pyrrolidin-1-ylphenyl)benzo[h]chromen-4-one is sourced from PubChem (CID 56945296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).