7-hydroxy-5,8-dimethoxy-2-(4-methoxyphenyl)-4-oxochromene-6-sulfonic acid

C18H16O9S — CID 102584177

IUPAC7-hydroxy-5,8-dimethoxy-2-(4-methoxyphenyl)-4-oxochromene-6-sulfonic acid
SMILESCOc1ccc(-c2cc(=O)c3c(OC)c(S(=O)(=O)O)c(O)c(OC)c3o2)cc1
InChIInChI=1S/C18H16O9S/c1-24-10-6-4-9(5-7-10)12-8-11(19)13-15(27-12)17(26-3)14(20)18(16(13)25-2)28(21,22)23/h4-8,20H,1-3H3,(H,21,22,23)
InChIKeyXLWPNNLPQFZOGP-UHFFFAOYSA-N
MW408.38 g/mol
LogP2.44
Rot. Bonds5

About 7-hydroxy-5,8-dimethoxy-2-(4-methoxyphenyl)-4-oxochromene-6-sulfonic acid

7-hydroxy-5,8-dimethoxy-2-(4-methoxyphenyl)-4-oxochromene-6-sulfonic acid (PubChem CID 102584177) has the molecular formula C18H16O9S and a molecular weight of 408.38 g/mol. Its IUPAC name is 7-hydroxy-5,8-dimethoxy-2-(4-methoxyphenyl)-4-oxochromene-6-sulfonic acid.

Molecular Properties

Compound Name7-hydroxy-5,8-dimethoxy-2-(4-methoxyphenyl)-4-oxochromene-6-sulfonic acid
PubChem CID102584177
Molecular FormulaC18H16O9S
Molecular Weight408.38 g/mol
Exact Mass408.05
IUPAC Name7-hydroxy-5,8-dimethoxy-2-(4-methoxyphenyl)-4-oxochromene-6-sulfonic acid
SMILESCOc1ccc(-c2cc(=O)c3c(OC)c(S(=O)(=O)O)c(O)c(OC)c3o2)cc1
InChIInChI=1S/C18H16O9S/c1-24-10-6-4-9(5-7-10)12-8-11(19)13-15(27-12)17(26-3)14(20)18(16(13)25-2)28(21,22)23/h4-8,20H,1-3H3,(H,21,22,23)
InChIKeyXLWPNNLPQFZOGP-UHFFFAOYSA-N
XLogP2.44
TPSA132.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 7-hydroxy-5,8-dimethoxy-2-(4-methoxyphenyl)-4-oxochromene-6-sulfonic acid 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

8-bromo-5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
CID 15870477
6,7-dimethoxy-2-(4-methoxyphenyl)-5,8-dimethylchromen-4-one
CID 145159791
6,7,8-trihydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 16657777
[7,8-dimethoxy-2-(4-methoxyphenyl)-4-oxochromen-5-yl] acetate
CID 23259396
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one
CID 5281703
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one;hydrochloride
CID 175431329
7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-olate
CID 164575986
8-ethyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 130427398
7-hydroxy-8-methoxy-4-oxo-2-phenylchromen-5-olate
CID 86289529
7-hydroxy-8-[[7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]methyl]-2-(4-methoxyphenyl)chromen-4-one
CID 91431770
5,7-dihydroxy-2-(4-methoxyphenyl)-8-prop-1-ynylchromen-4-one
CID 175811145
5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 73157763

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-5,8-dimethoxy-2-(4-methoxyphenyl)-4-oxochromene-6-sulfonic acid?
The IUPAC name of 7-hydroxy-5,8-dimethoxy-2-(4-methoxyphenyl)-4-oxochromene-6-sulfonic acid (CID 102584177) is 7-hydroxy-5,8-dimethoxy-2-(4-methoxyphenyl)-4-oxochromene-6-sulfonic acid.
What is the SMILES notation for 7-hydroxy-5,8-dimethoxy-2-(4-methoxyphenyl)-4-oxochromene-6-sulfonic acid?
The canonical SMILES for 7-hydroxy-5,8-dimethoxy-2-(4-methoxyphenyl)-4-oxochromene-6-sulfonic acid is COc1ccc(-c2cc(=O)c3c(OC)c(S(=O)(=O)O)c(O)c(OC)c3o2)cc1.
What is the InChIKey of 7-hydroxy-5,8-dimethoxy-2-(4-methoxyphenyl)-4-oxochromene-6-sulfonic acid?
The InChIKey is XLWPNNLPQFZOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O9S/c1-24-10-6-4-9(5-7-10)12-8-11(19)13-15(27-12)17(26-3)14(20)18(16(13)25-2)28(21,22)23/h4-8,20H,1-3H3,(H,21,22,23).
What are the key properties of 7-hydroxy-5,8-dimethoxy-2-(4-methoxyphenyl)-4-oxochromene-6-sulfonic acid?
7-hydroxy-5,8-dimethoxy-2-(4-methoxyphenyl)-4-oxochromene-6-sulfonic acid has a molecular weight of 408.38 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-5,8-dimethoxy-2-(4-methoxyphenyl)-4-oxochromene-6-sulfonic acid is sourced from PubChem (CID 102584177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).