3-ethoxy-7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one

C18H18O6 — CID 169180211

IUPAC3-ethoxy-7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
SMILESCCOC1C(=O)c2ccc(O)cc2OC1c1ccc(OC)c(O)c1
InChIInChI=1S/C18H18O6/c1-3-23-18-16(21)12-6-5-11(19)9-15(12)24-17(18)10-4-7-14(22-2)13(20)8-10/h4-9,17-20H,3H2,1-2H3
InChIKeyYWPCSOIFUXBHSJ-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.83
Rot. Bonds4

About 3-ethoxy-7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one

3-ethoxy-7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one (PubChem CID 169180211) has the molecular formula C18H18O6 and a molecular weight of 330.34 g/mol. Its IUPAC name is 3-ethoxy-7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name3-ethoxy-7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
PubChem CID169180211
Molecular FormulaC18H18O6
Molecular Weight330.34 g/mol
Exact Mass330.11
IUPAC Name3-ethoxy-7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
SMILESCCOC1C(=O)c2ccc(O)cc2OC1c1ccc(OC)c(O)c1
InChIInChI=1S/C18H18O6/c1-3-23-18-16(21)12-6-5-11(19)9-15(12)24-17(18)10-4-7-14(22-2)13(20)8-10/h4-9,17-20H,3H2,1-2H3
InChIKeyYWPCSOIFUXBHSJ-UHFFFAOYSA-N
XLogP2.83
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-ethoxy-7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-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

3-ethoxy-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 169180209
ethane;5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-2,3-dihydrochromen-4-one
CID 169180213
[7-hydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-3-yl] 3,4,5-trihydroxybenzoate
CID 162946467
6-hydroxy-2-(2-methylpropyl)-1-benzofuran-3-one
CID 141444171
(2S,3R)-3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one
CID 36690361
[(2R,3R)-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] acetate
CID 14539349
3,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 141131707
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
CID 162844213
[(2R,3R)-7-acetyloxy-2-(3,4-diacetyloxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] acetate
CID 14079030
(3S)-8-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-3,4-dihydroisochromen-1-one
CID 10493415
[(2R,3R)-3,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-5-yl] hydrogen sulfate
CID 71579213
3,7-dihydroxy-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one
CID 14794882

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 3-ethoxy-7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one (CID 169180211) is 3-ethoxy-7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 3-ethoxy-7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 3-ethoxy-7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one is CCOC1C(=O)c2ccc(O)cc2OC1c1ccc(OC)c(O)c1.
What is the InChIKey of 3-ethoxy-7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is YWPCSOIFUXBHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O6/c1-3-23-18-16(21)12-6-5-11(19)9-15(12)24-17(18)10-4-7-14(22-2)13(20)8-10/h4-9,17-20H,3H2,1-2H3.
What are the key properties of 3-ethoxy-7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one?
3-ethoxy-7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 330.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 169180211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).