2-(3,4-dimethoxyphenyl)-7-(hydroxymethyl)-3,5-dimethoxychromen-4-one

C20H20O7 — CID 58133612

IUPAC2-(3,4-dimethoxyphenyl)-7-(hydroxymethyl)-3,5-dimethoxychromen-4-one
SMILESCOc1ccc(-c2oc3cc(CO)cc(OC)c3c(=O)c2OC)cc1OC
InChIInChI=1S/C20H20O7/c1-23-13-6-5-12(9-14(13)24-2)19-20(26-4)18(22)17-15(25-3)7-11(10-21)8-16(17)27-19/h5-9,21H,10H2,1-4H3
InChIKeyGOBBTXRGVXPCSC-UHFFFAOYSA-N
MW372.37 g/mol
LogP2.99
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-7-(hydroxymethyl)-3,5-dimethoxychromen-4-one

2-(3,4-dimethoxyphenyl)-7-(hydroxymethyl)-3,5-dimethoxychromen-4-one (PubChem CID 58133612) has the molecular formula C20H20O7 and a molecular weight of 372.37 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-7-(hydroxymethyl)-3,5-dimethoxychromen-4-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-7-(hydroxymethyl)-3,5-dimethoxychromen-4-one
PubChem CID58133612
Molecular FormulaC20H20O7
Molecular Weight372.37 g/mol
Exact Mass372.12
IUPAC Name2-(3,4-dimethoxyphenyl)-7-(hydroxymethyl)-3,5-dimethoxychromen-4-one
SMILESCOc1ccc(-c2oc3cc(CO)cc(OC)c3c(=O)c2OC)cc1OC
InChIInChI=1S/C20H20O7/c1-23-13-6-5-12(9-14(13)24-2)19-20(26-4)18(22)17-15(25-3)7-11(10-21)8-16(17)27-19/h5-9,21H,10H2,1-4H3
InChIKeyGOBBTXRGVXPCSC-UHFFFAOYSA-N
XLogP2.99
TPSA87.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(3,4-dimethoxyphenyl)-7-(hydroxymethyl)-3,5-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

2-(3,4-dimethoxyphenyl)-6-(hydroxymethyl)-3-methoxychromen-4-one
CID 58427526
2-(3,4-dimethoxyphenyl)-5,6-dihydroxy-3,7-dimethoxychromen-4-one
CID 14376225
2-(3,4-dimethoxyphenyl)-3-(3-hydroxypropoxy)-5,7-dimethoxychromen-4-one
CID 101179168
2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one;methoxymethane
CID 68984342
3-(3,4-dimethoxyphenyl)-2-methoxybenzo[f]chromen-1-one
CID 73346146
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)-3-methoxychromen-4-one
CID 58667503
2-(3,4-dimethoxyphenyl)-3-ethoxy-5,7-dimethoxychromen-4-one
CID 97032110
3-[3-(4-acetylphenoxy)propoxy]-2-(3,4-dimethoxyphenyl)-7-ethyl-5-methoxychromen-4-one
CID 68892528
3,5-dimethoxy-2-[3-methoxy-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-[(2S,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 118970592
2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-(2-phenylethoxy)chromen-4-one
CID 59838501
2-(4-hydroxyphenyl)-3,5,7-trimethoxychromen-4-one
CID 14414499
methyl 6-(hydroxymethyl)-8-methoxy-9-oxoxanthene-1-carboxylate
CID 163045284

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-7-(hydroxymethyl)-3,5-dimethoxychromen-4-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-7-(hydroxymethyl)-3,5-dimethoxychromen-4-one (CID 58133612) is 2-(3,4-dimethoxyphenyl)-7-(hydroxymethyl)-3,5-dimethoxychromen-4-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-7-(hydroxymethyl)-3,5-dimethoxychromen-4-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-7-(hydroxymethyl)-3,5-dimethoxychromen-4-one is COc1ccc(-c2oc3cc(CO)cc(OC)c3c(=O)c2OC)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-7-(hydroxymethyl)-3,5-dimethoxychromen-4-one?
The InChIKey is GOBBTXRGVXPCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O7/c1-23-13-6-5-12(9-14(13)24-2)19-20(26-4)18(22)17-15(25-3)7-11(10-21)8-16(17)27-19/h5-9,21H,10H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-7-(hydroxymethyl)-3,5-dimethoxychromen-4-one?
2-(3,4-dimethoxyphenyl)-7-(hydroxymethyl)-3,5-dimethoxychromen-4-one has a molecular weight of 372.37 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-7-(hydroxymethyl)-3,5-dimethoxychromen-4-one is sourced from PubChem (CID 58133612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).