3-(3,4-dimethoxyphenyl)-8-hydroxy-2,6-dimethoxychromen-4-one

C19H18O7 — CID 163003822

IUPAC3-(3,4-dimethoxyphenyl)-8-hydroxy-2,6-dimethoxychromen-4-one
SMILESCOc1cc(O)c2oc(OC)c(-c3ccc(OC)c(OC)c3)c(=O)c2c1
InChIInChI=1S/C19H18O7/c1-22-11-8-12-17(21)16(19(25-4)26-18(12)13(20)9-11)10-5-6-14(23-2)15(7-10)24-3/h5-9,20H,1-4H3
InChIKeyVFEWDPIHBLRBTM-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.20
Rot. Bonds5

About 3-(3,4-dimethoxyphenyl)-8-hydroxy-2,6-dimethoxychromen-4-one

3-(3,4-dimethoxyphenyl)-8-hydroxy-2,6-dimethoxychromen-4-one (PubChem CID 163003822) has the molecular formula C19H18O7 and a molecular weight of 358.35 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-8-hydroxy-2,6-dimethoxychromen-4-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-8-hydroxy-2,6-dimethoxychromen-4-one
PubChem CID163003822
Molecular FormulaC19H18O7
Molecular Weight358.35 g/mol
Exact Mass358.11
IUPAC Name3-(3,4-dimethoxyphenyl)-8-hydroxy-2,6-dimethoxychromen-4-one
SMILESCOc1cc(O)c2oc(OC)c(-c3ccc(OC)c(OC)c3)c(=O)c2c1
InChIInChI=1S/C19H18O7/c1-22-11-8-12-17(21)16(19(25-4)26-18(12)13(20)9-11)10-5-6-14(23-2)15(7-10)24-3/h5-9,20H,1-4H3
InChIKeyVFEWDPIHBLRBTM-UHFFFAOYSA-N
XLogP3.20
TPSA87.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(3,4-dimethoxyphenyl)-8-hydroxy-2,6-dimethoxychromen-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

Related Compounds

3-(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,6-dimethoxychromen-4-one
CID 162971212
2-amino-3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one
CID 70689704
2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one;methoxymethane
CID 68984342
2-(3,4-dimethoxyphenyl)-5,6-dihydroxy-3,7-dimethoxychromen-4-one
CID 14376225
1,2-dihydroxy-3,5,7-trimethoxyxanthen-9-one
CID 174874311
[3-(3,4-dimethoxyphenyl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-diethylazanium
CID 6259196
3-(3,4-dimethoxyphenyl)-7-hydroxy-2-methyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one
CID 6988249
2-amino-6-bromo-3-(3,4-dimethoxyphenyl)chromen-4-one
CID 12710979
3-(3,4-dimethoxyphenyl)-4-methyl-6-(2-oxopropoxy)chromen-2-one
CID 7198745
2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-3-methoxy-8-methylchromen-4-one
CID 146500533
1,6-dihydroxy-3,5,7-trimethoxyxanthen-9-one
CID 5316837
2-(3-amino-4-methoxyphenyl)-5-hydroxy-7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 11634352

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-8-hydroxy-2,6-dimethoxychromen-4-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-8-hydroxy-2,6-dimethoxychromen-4-one (CID 163003822) is 3-(3,4-dimethoxyphenyl)-8-hydroxy-2,6-dimethoxychromen-4-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-8-hydroxy-2,6-dimethoxychromen-4-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-8-hydroxy-2,6-dimethoxychromen-4-one is COc1cc(O)c2oc(OC)c(-c3ccc(OC)c(OC)c3)c(=O)c2c1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-8-hydroxy-2,6-dimethoxychromen-4-one?
The InChIKey is VFEWDPIHBLRBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O7/c1-22-11-8-12-17(21)16(19(25-4)26-18(12)13(20)9-11)10-5-6-14(23-2)15(7-10)24-3/h5-9,20H,1-4H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-8-hydroxy-2,6-dimethoxychromen-4-one?
3-(3,4-dimethoxyphenyl)-8-hydroxy-2,6-dimethoxychromen-4-one has a molecular weight of 358.35 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-8-hydroxy-2,6-dimethoxychromen-4-one is sourced from PubChem (CID 163003822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).