[2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-oxochromen-3-yl] 2-(4-phenylphenyl)acetate

C33H28O8 — CID 46702115

IUPAC[2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-oxochromen-3-yl] 2-(4-phenylphenyl)acetate
SMILESCOc1cc(OC)c2c(=O)c(OC(=O)Cc3ccc(-c4ccccc4)cc3)c(-c3ccc(OC)c(OC)c3)oc2c1
InChIInChI=1S/C33H28O8/c1-36-24-18-27(39-4)30-28(19-24)40-32(23-14-15-25(37-2)26(17-23)38-3)33(31(30)35)41-29(34)16-20-10-12-22(13-11-20)21-8-6-5-7-9-21/h5-15,17-19H,16H2,1-4H3
InChIKeyGRKNNYPOHUUKPG-UHFFFAOYSA-N
MW552.58 g/mol
LogP6.31
Rot. Bonds9

About [2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-oxochromen-3-yl] 2-(4-phenylphenyl)acetate

[2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-oxochromen-3-yl] 2-(4-phenylphenyl)acetate (PubChem CID 46702115) has the molecular formula C33H28O8 and a molecular weight of 552.58 g/mol. Its IUPAC name is [2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-oxochromen-3-yl] 2-(4-phenylphenyl)acetate.

Molecular Properties

Compound Name[2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-oxochromen-3-yl] 2-(4-phenylphenyl)acetate
PubChem CID46702115
Molecular FormulaC33H28O8
Molecular Weight552.58 g/mol
Exact Mass552.18
IUPAC Name[2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-oxochromen-3-yl] 2-(4-phenylphenyl)acetate
SMILESCOc1cc(OC)c2c(=O)c(OC(=O)Cc3ccc(-c4ccccc4)cc3)c(-c3ccc(OC)c(OC)c3)oc2c1
InChIInChI=1S/C33H28O8/c1-36-24-18-27(39-4)30-28(19-24)40-32(23-14-15-25(37-2)26(17-23)38-3)33(31(30)35)41-29(34)16-20-10-12-22(13-11-20)21-8-6-5-7-9-21/h5-15,17-19H,16H2,1-4H3
InChIKeyGRKNNYPOHUUKPG-UHFFFAOYSA-N
XLogP6.31
TPSA93.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.58
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-oxochromen-3-yl] 2-(4-phenylphenyl)acetate 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)-5,7-dimethoxy-3-(2-phenylethoxy)chromen-4-one
CID 59838501
2-(3,4-dimethoxyphenyl)-3-ethoxy-5,7-dimethoxychromen-4-one
CID 97032110
2-(3,4-dimethoxyphenyl)-3-(3-hydroxypropoxy)-5,7-dimethoxychromen-4-one
CID 101179168
[6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate
CID 21001601
3-[2-(4-acetylphenoxy)ethoxy]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one
CID 15965500
2-(3,4-dimethoxyphenyl)-7-(hydroxymethyl)-3,5-dimethoxychromen-4-one
CID 58133612
2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one;methoxymethane
CID 68984342
[4-[3,7-dimethoxy-4-oxo-5-(pyridine-3-carbonyloxy)chromen-2-yl]-2-methoxyphenyl] pyridine-3-carboxylate
CID 20522563
2-(4-hydroxyphenyl)-3,5,7-trimethoxychromen-4-one
CID 14414499
2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 14234930
[4-[5-acetyloxy-4-oxo-3,7-di(propanoyloxy)chromen-2-yl]-2-propanoyloxyphenyl] propanoate
CID 20728514
2-(3,4-dimethoxyphenyl)-5,6-dihydroxy-3,7-dimethoxychromen-4-one
CID 14376225

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-oxochromen-3-yl] 2-(4-phenylphenyl)acetate?
The IUPAC name of [2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-oxochromen-3-yl] 2-(4-phenylphenyl)acetate (CID 46702115) is [2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-oxochromen-3-yl] 2-(4-phenylphenyl)acetate.
What is the SMILES notation for [2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-oxochromen-3-yl] 2-(4-phenylphenyl)acetate?
The canonical SMILES for [2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-oxochromen-3-yl] 2-(4-phenylphenyl)acetate is COc1cc(OC)c2c(=O)c(OC(=O)Cc3ccc(-c4ccccc4)cc3)c(-c3ccc(OC)c(OC)c3)oc2c1.
What is the InChIKey of [2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-oxochromen-3-yl] 2-(4-phenylphenyl)acetate?
The InChIKey is GRKNNYPOHUUKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28O8/c1-36-24-18-27(39-4)30-28(19-24)40-32(23-14-15-25(37-2)26(17-23)38-3)33(31(30)35)41-29(34)16-20-10-12-22(13-11-20)21-8-6-5-7-9-21/h5-15,17-19H,16H2,1-4H3.
What are the key properties of [2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-oxochromen-3-yl] 2-(4-phenylphenyl)acetate?
[2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-oxochromen-3-yl] 2-(4-phenylphenyl)acetate has a molecular weight of 552.58 g/mol, XLogP of 6.31, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-oxochromen-3-yl] 2-(4-phenylphenyl)acetate is sourced from PubChem (CID 46702115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).