4,5-dihydroxy-7-methoxychromen-2-one

C10H8O5 — CID 82371903

IUPAC4,5-dihydroxy-7-methoxychromen-2-one
SMILESCOc1cc(O)c2c(O)cc(=O)oc2c1
InChIInChI=1S/C10H8O5/c1-14-5-2-6(11)10-7(12)4-9(13)15-8(10)3-5/h2-4,11-12H,1H3
InChIKeyIGSAEJJHDXBOLT-UHFFFAOYSA-N
MW208.17 g/mol
LogP1.21
Rot. Bonds1

About 4,5-dihydroxy-7-methoxychromen-2-one

4,5-dihydroxy-7-methoxychromen-2-one (PubChem CID 82371903) has the molecular formula C10H8O5 and a molecular weight of 208.17 g/mol. Its IUPAC name is 4,5-dihydroxy-7-methoxychromen-2-one.

Molecular Properties

Compound Name4,5-dihydroxy-7-methoxychromen-2-one
PubChem CID82371903
Molecular FormulaC10H8O5
Molecular Weight208.17 g/mol
Exact Mass208.04
IUPAC Name4,5-dihydroxy-7-methoxychromen-2-one
SMILESCOc1cc(O)c2c(O)cc(=O)oc2c1
InChIInChI=1S/C10H8O5/c1-14-5-2-6(11)10-7(12)4-9(13)15-8(10)3-5/h2-4,11-12H,1H3
InChIKeyIGSAEJJHDXBOLT-UHFFFAOYSA-N
XLogP1.21
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4,5-dihydroxy-7-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

Related Compounds

[(1S)-1-carboxy-2-(5-hydroxy-7-methoxy-2-oxochromen-4-yl)ethyl]azanium
CID 102072650
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 5281617
1,5-dihydroxy-3-methoxyxanthen-9-one
CID 5281651
1,8-dihydroxy-2,3,4,6-tetramethoxyxanthen-9-one
CID 5487631
5-hydroxy-2-(2-hydroxyphenyl)-7-methoxychromen-4-one
CID 15559079
5-[2-(4-hydroxyphenyl)ethenyl]-4,7-dimethoxychromen-2-one
CID 54261202
2-benzyl-5-hydroxy-7-methoxychromen-4-one
CID 11822088
5-hydroxy-3,7-dimethoxy-2-phenylchromen-4-one
CID 139068259
1,6-dihydroxy-3,5,7-trimethoxyxanthen-9-one
CID 5316837
3,5-dihydroxy-2-(3-hydroxy-2-methoxyphenyl)-7-methoxychromen-4-one
CID 11012936
2-(3-amino-4-methoxyphenyl)-5-hydroxy-7-methoxychromen-4-one
CID 44583449
(5,7-dimethoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate;ethane
CID 142122957

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-7-methoxychromen-2-one?
The IUPAC name of 4,5-dihydroxy-7-methoxychromen-2-one (CID 82371903) is 4,5-dihydroxy-7-methoxychromen-2-one.
What is the SMILES notation for 4,5-dihydroxy-7-methoxychromen-2-one?
The canonical SMILES for 4,5-dihydroxy-7-methoxychromen-2-one is COc1cc(O)c2c(O)cc(=O)oc2c1.
What is the InChIKey of 4,5-dihydroxy-7-methoxychromen-2-one?
The InChIKey is IGSAEJJHDXBOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O5/c1-14-5-2-6(11)10-7(12)4-9(13)15-8(10)3-5/h2-4,11-12H,1H3.
What are the key properties of 4,5-dihydroxy-7-methoxychromen-2-one?
4,5-dihydroxy-7-methoxychromen-2-one has a molecular weight of 208.17 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-7-methoxychromen-2-one is sourced from PubChem (CID 82371903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).