3,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one

C18H16O7 — CID 6250403

IUPAC3,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
SMILESCOc1cc(-c2oc3cc(O)ccc3c(=O)c2O)cc(OC)c1OC
InChIInChI=1S/C18H16O7/c1-22-13-6-9(7-14(23-2)18(13)24-3)17-16(21)15(20)11-5-4-10(19)8-12(11)25-17/h4-8,19,21H,1-3H3
InChIKeyNJNGYVOYOVPWBB-UHFFFAOYSA-N
MW344.32 g/mol
LogP2.90
Rot. Bonds4

About 3,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one

3,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one (PubChem CID 6250403) has the molecular formula C18H16O7 and a molecular weight of 344.32 g/mol. Its IUPAC name is 3,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name3,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
PubChem CID6250403
Molecular FormulaC18H16O7
Molecular Weight344.32 g/mol
Exact Mass344.09
IUPAC Name3,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
SMILESCOc1cc(-c2oc3cc(O)ccc3c(=O)c2O)cc(OC)c1OC
InChIInChI=1S/C18H16O7/c1-22-13-6-9(7-14(23-2)18(13)24-3)17-16(21)15(20)11-5-4-10(19)8-12(11)25-17/h4-8,19,21H,1-3H3
InChIKeyNJNGYVOYOVPWBB-UHFFFAOYSA-N
XLogP2.90
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)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 3,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one?
The IUPAC name of 3,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one (CID 6250403) is 3,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one.
What is the SMILES notation for 3,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one?
The canonical SMILES for 3,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one is COc1cc(-c2oc3cc(O)ccc3c(=O)c2O)cc(OC)c1OC.
What is the InChIKey of 3,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one?
The InChIKey is NJNGYVOYOVPWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O7/c1-22-13-6-9(7-14(23-2)18(13)24-3)17-16(21)15(20)11-5-4-10(19)8-12(11)25-17/h4-8,19,21H,1-3H3.
What are the key properties of 3,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one?
3,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one has a molecular weight of 344.32 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one is sourced from PubChem (CID 6250403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).