5,7-dimethoxy-2-(3-methoxyphenyl)-2-phenyl-3H-chromen-4-one

C24H22O5 — CID 172559489

IUPAC5,7-dimethoxy-2-(3-methoxyphenyl)-2-phenyl-3H-chromen-4-one
SMILESCOc1cccc(C2(c3ccccc3)CC(=O)c3c(OC)cc(OC)cc3O2)c1
InChIInChI=1S/C24H22O5/c1-26-18-11-7-10-17(12-18)24(16-8-5-4-6-9-16)15-20(25)23-21(28-3)13-19(27-2)14-22(23)29-24/h4-14H,15H2,1-3H3
InChIKeyUPMPLYUWVSUQLH-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.62
Rot. Bonds5

About 5,7-dimethoxy-2-(3-methoxyphenyl)-2-phenyl-3H-chromen-4-one

5,7-dimethoxy-2-(3-methoxyphenyl)-2-phenyl-3H-chromen-4-one (PubChem CID 172559489) has the molecular formula C24H22O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is 5,7-dimethoxy-2-(3-methoxyphenyl)-2-phenyl-3H-chromen-4-one.

Molecular Properties

Compound Name5,7-dimethoxy-2-(3-methoxyphenyl)-2-phenyl-3H-chromen-4-one
PubChem CID172559489
Molecular FormulaC24H22O5
Molecular Weight390.44 g/mol
Exact Mass390.15
IUPAC Name5,7-dimethoxy-2-(3-methoxyphenyl)-2-phenyl-3H-chromen-4-one
SMILESCOc1cccc(C2(c3ccccc3)CC(=O)c3c(OC)cc(OC)cc3O2)c1
InChIInChI=1S/C24H22O5/c1-26-18-11-7-10-17(12-18)24(16-8-5-4-6-9-16)15-20(25)23-21(28-3)13-19(27-2)14-22(23)29-24/h4-14H,15H2,1-3H3
InChIKeyUPMPLYUWVSUQLH-UHFFFAOYSA-N
XLogP4.62
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-2-hydroxy-5,7-dimethoxy-3H-chromen-4-one
CID 10914018
(2S)-2-(4-hydroxyphenyl)-7-methoxy-2-phenyl-3H-chromen-4-one
CID 150532948
5,7-dimethoxy-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide
CID 108780314
5,7-dimethoxy-1'-(4-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750376
1-(5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-5-phenylpentane-1,5-dione
CID 108726326
5-(3-methoxyphenyl)-5-phenyl-1,2-oxazolidine
CID 10634765
(2S)-2-(2,5-dimethoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 11078443
2-[2-(5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]isoindole-1,3-dione
CID 108750406
1'-(3,4-dimethylbenzoyl)-5,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726277
1-(5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(2-methoxyphenyl)butane-1,4-dione
CID 108726339
1'-[(E)-but-2-enoyl]-5,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750369
5,7-dimethoxy-1'-(4-propan-2-ylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726292

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-2-(3-methoxyphenyl)-2-phenyl-3H-chromen-4-one?
The IUPAC name of 5,7-dimethoxy-2-(3-methoxyphenyl)-2-phenyl-3H-chromen-4-one (CID 172559489) is 5,7-dimethoxy-2-(3-methoxyphenyl)-2-phenyl-3H-chromen-4-one.
What is the SMILES notation for 5,7-dimethoxy-2-(3-methoxyphenyl)-2-phenyl-3H-chromen-4-one?
The canonical SMILES for 5,7-dimethoxy-2-(3-methoxyphenyl)-2-phenyl-3H-chromen-4-one is COc1cccc(C2(c3ccccc3)CC(=O)c3c(OC)cc(OC)cc3O2)c1.
What is the InChIKey of 5,7-dimethoxy-2-(3-methoxyphenyl)-2-phenyl-3H-chromen-4-one?
The InChIKey is UPMPLYUWVSUQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O5/c1-26-18-11-7-10-17(12-18)24(16-8-5-4-6-9-16)15-20(25)23-21(28-3)13-19(27-2)14-22(23)29-24/h4-14H,15H2,1-3H3.
What are the key properties of 5,7-dimethoxy-2-(3-methoxyphenyl)-2-phenyl-3H-chromen-4-one?
5,7-dimethoxy-2-(3-methoxyphenyl)-2-phenyl-3H-chromen-4-one has a molecular weight of 390.44 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-2-(3-methoxyphenyl)-2-phenyl-3H-chromen-4-one is sourced from PubChem (CID 172559489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).