2-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5,6,7,8-tetramethoxy-3-methylchromen-4-one

C24H28O9 — CID 626353

IUPAC2-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5,6,7,8-tetramethoxy-3-methylchromen-4-one
SMILESCOc1ccc(C(O)Cc2oc3c(OC)c(OC)c(OC)c(OC)c3c(=O)c2C)cc1OC
InChIInChI=1S/C24H28O9/c1-12-16(11-14(25)13-8-9-15(27-2)17(10-13)28-3)33-21-18(19(12)26)20(29-4)22(30-5)24(32-7)23(21)31-6/h8-10,14,25H,11H2,1-7H3
InChIKeyFGRHWHQDFSZIHI-UHFFFAOYSA-N
MW460.48 g/mol
LogP3.43
Rot. Bonds9

About 2-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5,6,7,8-tetramethoxy-3-methylchromen-4-one

2-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5,6,7,8-tetramethoxy-3-methylchromen-4-one (PubChem CID 626353) has the molecular formula C24H28O9 and a molecular weight of 460.48 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5,6,7,8-tetramethoxy-3-methylchromen-4-one.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5,6,7,8-tetramethoxy-3-methylchromen-4-one
PubChem CID626353
Molecular FormulaC24H28O9
Molecular Weight460.48 g/mol
Exact Mass460.17
IUPAC Name2-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5,6,7,8-tetramethoxy-3-methylchromen-4-one
SMILESCOc1ccc(C(O)Cc2oc3c(OC)c(OC)c(OC)c(OC)c3c(=O)c2C)cc1OC
InChIInChI=1S/C24H28O9/c1-12-16(11-14(25)13-8-9-15(27-2)17(10-13)28-3)33-21-18(19(12)26)20(29-4)22(30-5)24(32-7)23(21)31-6/h8-10,14,25H,11H2,1-7H3
InChIKeyFGRHWHQDFSZIHI-UHFFFAOYSA-N
XLogP3.43
TPSA105.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5,6,7,8-tetramethoxy-3-methylchromen-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-acetyloxy-4-[1-acetyloxy-2-(5,6,7,8-tetramethoxy-3-methyl-4-oxochromen-2-yl)ethyl]phenyl] acetate
CID 536880
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
1-(3,4-dimethoxyphenyl)-2-thiophen-2-ylethanol
CID 55136258
1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-diol
CID 118987415
4-(3,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 24859749
1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol
CID 60797865
(1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride
CID 163203583
(1S)-1-(3,4-dimethoxyphenyl)propane-1,3-diol
CID 92978371
1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol
CID 58450006
methyl (3S)-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate
CID 11042831
1-(3,4-dimethoxyphenyl)-4-methylpentan-1-ol
CID 61099857
(1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol
CID 40574216

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5,6,7,8-tetramethoxy-3-methylchromen-4-one?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5,6,7,8-tetramethoxy-3-methylchromen-4-one (CID 626353) is 2-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5,6,7,8-tetramethoxy-3-methylchromen-4-one.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5,6,7,8-tetramethoxy-3-methylchromen-4-one?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5,6,7,8-tetramethoxy-3-methylchromen-4-one is COc1ccc(C(O)Cc2oc3c(OC)c(OC)c(OC)c(OC)c3c(=O)c2C)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5,6,7,8-tetramethoxy-3-methylchromen-4-one?
The InChIKey is FGRHWHQDFSZIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O9/c1-12-16(11-14(25)13-8-9-15(27-2)17(10-13)28-3)33-21-18(19(12)26)20(29-4)22(30-5)24(32-7)23(21)31-6/h8-10,14,25H,11H2,1-7H3.
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5,6,7,8-tetramethoxy-3-methylchromen-4-one?
2-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5,6,7,8-tetramethoxy-3-methylchromen-4-one has a molecular weight of 460.48 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5,6,7,8-tetramethoxy-3-methylchromen-4-one is sourced from PubChem (CID 626353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).