7-hydroxy-3-[4-(1-hydroxy-1-phenylethyl)phenyl]-6-methoxychromen-2-one

C24H20O5 — CID 58120354

IUPAC7-hydroxy-3-[4-(1-hydroxy-1-phenylethyl)phenyl]-6-methoxychromen-2-one
SMILESCOc1cc2cc(-c3ccc(C(C)(O)c4ccccc4)cc3)c(=O)oc2cc1O
InChIInChI=1S/C24H20O5/c1-24(27,17-6-4-3-5-7-17)18-10-8-15(9-11-18)19-12-16-13-22(28-2)20(25)14-21(16)29-23(19)26/h3-14,25,27H,1-2H3
InChIKeyJIKQCPXHLDHICO-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.43
Rot. Bonds4

About 7-hydroxy-3-[4-(1-hydroxy-1-phenylethyl)phenyl]-6-methoxychromen-2-one

7-hydroxy-3-[4-(1-hydroxy-1-phenylethyl)phenyl]-6-methoxychromen-2-one (PubChem CID 58120354) has the molecular formula C24H20O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is 7-hydroxy-3-[4-(1-hydroxy-1-phenylethyl)phenyl]-6-methoxychromen-2-one.

Molecular Properties

Compound Name7-hydroxy-3-[4-(1-hydroxy-1-phenylethyl)phenyl]-6-methoxychromen-2-one
PubChem CID58120354
Molecular FormulaC24H20O5
Molecular Weight388.42 g/mol
Exact Mass388.13
IUPAC Name7-hydroxy-3-[4-(1-hydroxy-1-phenylethyl)phenyl]-6-methoxychromen-2-one
SMILESCOc1cc2cc(-c3ccc(C(C)(O)c4ccccc4)cc3)c(=O)oc2cc1O
InChIInChI=1S/C24H20O5/c1-24(27,17-6-4-3-5-7-17)18-10-8-15(9-11-18)19-12-16-13-22(28-2)20(25)14-21(16)29-23(19)26/h3-14,25,27H,1-2H3
InChIKeyJIKQCPXHLDHICO-UHFFFAOYSA-N
XLogP4.43
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-hydroxy-3-[4-(1-hydroxy-1-phenylethyl)phenyl]-6-methoxychromen-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 7-hydroxy-3-[4-(1-hydroxy-1-phenylethyl)phenyl]-6-methoxychromen-2-one?
The IUPAC name of 7-hydroxy-3-[4-(1-hydroxy-1-phenylethyl)phenyl]-6-methoxychromen-2-one (CID 58120354) is 7-hydroxy-3-[4-(1-hydroxy-1-phenylethyl)phenyl]-6-methoxychromen-2-one.
What is the SMILES notation for 7-hydroxy-3-[4-(1-hydroxy-1-phenylethyl)phenyl]-6-methoxychromen-2-one?
The canonical SMILES for 7-hydroxy-3-[4-(1-hydroxy-1-phenylethyl)phenyl]-6-methoxychromen-2-one is COc1cc2cc(-c3ccc(C(C)(O)c4ccccc4)cc3)c(=O)oc2cc1O.
What is the InChIKey of 7-hydroxy-3-[4-(1-hydroxy-1-phenylethyl)phenyl]-6-methoxychromen-2-one?
The InChIKey is JIKQCPXHLDHICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O5/c1-24(27,17-6-4-3-5-7-17)18-10-8-15(9-11-18)19-12-16-13-22(28-2)20(25)14-21(16)29-23(19)26/h3-14,25,27H,1-2H3.
What are the key properties of 7-hydroxy-3-[4-(1-hydroxy-1-phenylethyl)phenyl]-6-methoxychromen-2-one?
7-hydroxy-3-[4-(1-hydroxy-1-phenylethyl)phenyl]-6-methoxychromen-2-one has a molecular weight of 388.42 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-[4-(1-hydroxy-1-phenylethyl)phenyl]-6-methoxychromen-2-one is sourced from PubChem (CID 58120354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).