2-[2-[4-(dimethylamino)phenyl]-4-hydroxyphenyl]-5,7-dimethoxychromen-4-one

C25H23NO5 — CID 175483578

IUPAC2-[2-[4-(dimethylamino)phenyl]-4-hydroxyphenyl]-5,7-dimethoxychromen-4-one
SMILESCOc1cc(OC)c2c(=O)cc(-c3ccc(O)cc3-c3ccc(N(C)C)cc3)oc2c1
InChIInChI=1S/C25H23NO5/c1-26(2)16-7-5-15(6-8-16)20-11-17(27)9-10-19(20)22-14-21(28)25-23(30-4)12-18(29-3)13-24(25)31-22/h5-14,27H,1-4H3
InChIKeyZVSAFWPRCFYSHX-UHFFFAOYSA-N
MW417.46 g/mol
LogP4.92
Rot. Bonds5

About 2-[2-[4-(dimethylamino)phenyl]-4-hydroxyphenyl]-5,7-dimethoxychromen-4-one

2-[2-[4-(dimethylamino)phenyl]-4-hydroxyphenyl]-5,7-dimethoxychromen-4-one (PubChem CID 175483578) has the molecular formula C25H23NO5 and a molecular weight of 417.46 g/mol. Its IUPAC name is 2-[2-[4-(dimethylamino)phenyl]-4-hydroxyphenyl]-5,7-dimethoxychromen-4-one.

Molecular Properties

Compound Name2-[2-[4-(dimethylamino)phenyl]-4-hydroxyphenyl]-5,7-dimethoxychromen-4-one
PubChem CID175483578
Molecular FormulaC25H23NO5
Molecular Weight417.46 g/mol
Exact Mass417.16
IUPAC Name2-[2-[4-(dimethylamino)phenyl]-4-hydroxyphenyl]-5,7-dimethoxychromen-4-one
SMILESCOc1cc(OC)c2c(=O)cc(-c3ccc(O)cc3-c3ccc(N(C)C)cc3)oc2c1
InChIInChI=1S/C25H23NO5/c1-26(2)16-7-5-15(6-8-16)20-11-17(27)9-10-19(20)22-14-21(28)25-23(30-4)12-18(29-3)13-24(25)31-22/h5-14,27H,1-4H3
InChIKeyZVSAFWPRCFYSHX-UHFFFAOYSA-N
XLogP4.92
TPSA72.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[4-(dimethylamino)phenyl]-4-hydroxyphenyl]-5,7-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

5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one
CID 11623517
2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one
CID 158796402
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 5281617
2-[4-[3-(dimethylamino)propoxy]phenyl]-5,7-dimethoxychromen-4-one
CID 90681219
2-[2-(13-hydroxytridecyl)-4-methoxyphenyl]-5,7-dimethoxychromen-4-one
CID 87241551
2-(3-amino-4-methoxyphenyl)-5-hydroxy-7-methoxychromen-4-one
CID 44583449
[5-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate
CID 162873307
5-hydroxy-2-(2-hydroxyphenyl)-7-methoxychromen-4-one
CID 15559079
5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 3084390
2-(3,4-dimethoxyphenyl)-7-(2-hydroxyethoxy)-5-methoxychromen-4-one;2-(3,4-dimethoxyphenyl)-7-hydroxy-5-methoxychromen-4-one
CID 157085920
7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxychromen-4-one
CID 69325736
5,7-dimethoxy-2-(1H-pyrazol-5-yl)chromen-4-one
CID 54102075

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(dimethylamino)phenyl]-4-hydroxyphenyl]-5,7-dimethoxychromen-4-one?
The IUPAC name of 2-[2-[4-(dimethylamino)phenyl]-4-hydroxyphenyl]-5,7-dimethoxychromen-4-one (CID 175483578) is 2-[2-[4-(dimethylamino)phenyl]-4-hydroxyphenyl]-5,7-dimethoxychromen-4-one.
What is the SMILES notation for 2-[2-[4-(dimethylamino)phenyl]-4-hydroxyphenyl]-5,7-dimethoxychromen-4-one?
The canonical SMILES for 2-[2-[4-(dimethylamino)phenyl]-4-hydroxyphenyl]-5,7-dimethoxychromen-4-one is COc1cc(OC)c2c(=O)cc(-c3ccc(O)cc3-c3ccc(N(C)C)cc3)oc2c1.
What is the InChIKey of 2-[2-[4-(dimethylamino)phenyl]-4-hydroxyphenyl]-5,7-dimethoxychromen-4-one?
The InChIKey is ZVSAFWPRCFYSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO5/c1-26(2)16-7-5-15(6-8-16)20-11-17(27)9-10-19(20)22-14-21(28)25-23(30-4)12-18(29-3)13-24(25)31-22/h5-14,27H,1-4H3.
What are the key properties of 2-[2-[4-(dimethylamino)phenyl]-4-hydroxyphenyl]-5,7-dimethoxychromen-4-one?
2-[2-[4-(dimethylamino)phenyl]-4-hydroxyphenyl]-5,7-dimethoxychromen-4-one has a molecular weight of 417.46 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(dimethylamino)phenyl]-4-hydroxyphenyl]-5,7-dimethoxychromen-4-one is sourced from PubChem (CID 175483578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).