5,7-dimethoxy-2-(4-methoxyphenyl)-3-[2,4,6-trimethoxy-2-[(4-methoxyphenyl)methyl]-3-oxo-1-benzofuran-5-yl]-2,3-dihydrochromen-4-one

C37H36O11 — CID 163081005

IUPAC5,7-dimethoxy-2-(4-methoxyphenyl)-3-[2,4,6-trimethoxy-2-[(4-methoxyphenyl)methyl]-3-oxo-1-benzofuran-5-yl]-2,3-dihydrochromen-4-one
SMILESCOc1ccc(CC2(OC)Oc3cc(OC)c(C4C(=O)c5c(OC)cc(OC)cc5OC4c4ccc(OC)cc4)c(OC)c3C2=O)cc1
InChIInChI=1S/C37H36O11/c1-40-22-12-8-20(9-13-22)19-37(46-7)36(39)31-28(48-37)18-26(44-5)30(35(31)45-6)32-33(38)29-25(43-4)16-24(42-3)17-27(29)47-34(32)21-10-14-23(41-2)15-11-21/h8-18,32,34H,19H2,1-7H3
InChIKeySMAYSPKAFBRSJA-UHFFFAOYSA-N
MW656.68 g/mol
LogP6.00
Rot. Bonds11

About 5,7-dimethoxy-2-(4-methoxyphenyl)-3-[2,4,6-trimethoxy-2-[(4-methoxyphenyl)methyl]-3-oxo-1-benzofuran-5-yl]-2,3-dihydrochromen-4-one

5,7-dimethoxy-2-(4-methoxyphenyl)-3-[2,4,6-trimethoxy-2-[(4-methoxyphenyl)methyl]-3-oxo-1-benzofuran-5-yl]-2,3-dihydrochromen-4-one (PubChem CID 163081005) has the molecular formula C37H36O11 and a molecular weight of 656.68 g/mol. Its IUPAC name is 5,7-dimethoxy-2-(4-methoxyphenyl)-3-[2,4,6-trimethoxy-2-[(4-methoxyphenyl)methyl]-3-oxo-1-benzofuran-5-yl]-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name5,7-dimethoxy-2-(4-methoxyphenyl)-3-[2,4,6-trimethoxy-2-[(4-methoxyphenyl)methyl]-3-oxo-1-benzofuran-5-yl]-2,3-dihydrochromen-4-one
PubChem CID163081005
Molecular FormulaC37H36O11
Molecular Weight656.68 g/mol
Exact Mass656.23
IUPAC Name5,7-dimethoxy-2-(4-methoxyphenyl)-3-[2,4,6-trimethoxy-2-[(4-methoxyphenyl)methyl]-3-oxo-1-benzofuran-5-yl]-2,3-dihydrochromen-4-one
SMILESCOc1ccc(CC2(OC)Oc3cc(OC)c(C4C(=O)c5c(OC)cc(OC)cc5OC4c4ccc(OC)cc4)c(OC)c3C2=O)cc1
InChIInChI=1S/C37H36O11/c1-40-22-12-8-20(9-13-22)19-37(46-7)36(39)31-28(48-37)18-26(44-5)30(35(31)45-6)32-33(38)29-25(43-4)16-24(42-3)17-27(29)47-34(32)21-10-14-23(41-2)15-11-21/h8-18,32,34H,19H2,1-7H3
InChIKeySMAYSPKAFBRSJA-UHFFFAOYSA-N
XLogP6.00
TPSA117.21 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500656.68
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 5,7-dimethoxy-2-(4-methoxyphenyl)-3-[2,4,6-trimethoxy-2-[(4-methoxyphenyl)methyl]-3-oxo-1-benzofuran-5-yl]-2,3-dihydrochromen-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

(2R,3S)-5,7-dimethoxy-2-(4-methoxyphenyl)-3-[(2R)-2,4,6-trimethoxy-2-[(4-methoxyphenyl)methyl]-3-oxo-1-benzofuran-5-yl]-2,3-dihydrochromen-4-one
CID 15886368
(2S,3S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-(2,4,6-trimethoxyphenyl)-2,3-dihydrochromen-4-one
CID 118983376
8-[(2R,3S)-5,7-dimethoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one
CID 44559460
(2S,3R)-2-(3,4-dimethoxyphenyl)-7-(hydroxymethyl)-3-[2-(hydroxymethyl)-4,6-dimethoxyphenyl]-5-methoxy-2,3-dihydrochromen-4-one
CID 71004742
(2S,3S)-3-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 154496184
(2R,3R)-3-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 10403456
(2S,3S)-2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-2,3-dihydrochromen-4-one
CID 23270520
3,5-dihydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 14707089
(4S)-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 6540146
(2R,3S,4R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol
CID 14080194
2-benzyl-2-hydroxy-5,7-dimethoxy-3H-chromen-4-one
CID 10914018
[(2S,3S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-oxo-2,3-dihydrochromen-3-yl] acetate
CID 91727421

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-2-(4-methoxyphenyl)-3-[2,4,6-trimethoxy-2-[(4-methoxyphenyl)methyl]-3-oxo-1-benzofuran-5-yl]-2,3-dihydrochromen-4-one?
The IUPAC name of 5,7-dimethoxy-2-(4-methoxyphenyl)-3-[2,4,6-trimethoxy-2-[(4-methoxyphenyl)methyl]-3-oxo-1-benzofuran-5-yl]-2,3-dihydrochromen-4-one (CID 163081005) is 5,7-dimethoxy-2-(4-methoxyphenyl)-3-[2,4,6-trimethoxy-2-[(4-methoxyphenyl)methyl]-3-oxo-1-benzofuran-5-yl]-2,3-dihydrochromen-4-one.
What is the SMILES notation for 5,7-dimethoxy-2-(4-methoxyphenyl)-3-[2,4,6-trimethoxy-2-[(4-methoxyphenyl)methyl]-3-oxo-1-benzofuran-5-yl]-2,3-dihydrochromen-4-one?
The canonical SMILES for 5,7-dimethoxy-2-(4-methoxyphenyl)-3-[2,4,6-trimethoxy-2-[(4-methoxyphenyl)methyl]-3-oxo-1-benzofuran-5-yl]-2,3-dihydrochromen-4-one is COc1ccc(CC2(OC)Oc3cc(OC)c(C4C(=O)c5c(OC)cc(OC)cc5OC4c4ccc(OC)cc4)c(OC)c3C2=O)cc1.
What is the InChIKey of 5,7-dimethoxy-2-(4-methoxyphenyl)-3-[2,4,6-trimethoxy-2-[(4-methoxyphenyl)methyl]-3-oxo-1-benzofuran-5-yl]-2,3-dihydrochromen-4-one?
The InChIKey is SMAYSPKAFBRSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36O11/c1-40-22-12-8-20(9-13-22)19-37(46-7)36(39)31-28(48-37)18-26(44-5)30(35(31)45-6)32-33(38)29-25(43-4)16-24(42-3)17-27(29)47-34(32)21-10-14-23(41-2)15-11-21/h8-18,32,34H,19H2,1-7H3.
What are the key properties of 5,7-dimethoxy-2-(4-methoxyphenyl)-3-[2,4,6-trimethoxy-2-[(4-methoxyphenyl)methyl]-3-oxo-1-benzofuran-5-yl]-2,3-dihydrochromen-4-one?
5,7-dimethoxy-2-(4-methoxyphenyl)-3-[2,4,6-trimethoxy-2-[(4-methoxyphenyl)methyl]-3-oxo-1-benzofuran-5-yl]-2,3-dihydrochromen-4-one has a molecular weight of 656.68 g/mol, XLogP of 6.00, 11 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-2-(4-methoxyphenyl)-3-[2,4,6-trimethoxy-2-[(4-methoxyphenyl)methyl]-3-oxo-1-benzofuran-5-yl]-2,3-dihydrochromen-4-one is sourced from PubChem (CID 163081005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).