2-(3,4-dihydroxyphenyl)-5-ethoxy-7-hydroxychromen-4-one

C17H14O6 — CID 44610309

IUPAC2-(3,4-dihydroxyphenyl)-5-ethoxy-7-hydroxychromen-4-one
SMILESCCOc1cc(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12
InChIInChI=1S/C17H14O6/c1-2-22-15-6-10(18)7-16-17(15)13(21)8-14(23-16)9-3-4-11(19)12(20)5-9/h3-8,18-20H,2H2,1H3
InChIKeyAMNGHMSGIHDILP-UHFFFAOYSA-N
MW314.29 g/mol
LogP2.98
Rot. Bonds3

About 2-(3,4-dihydroxyphenyl)-5-ethoxy-7-hydroxychromen-4-one

2-(3,4-dihydroxyphenyl)-5-ethoxy-7-hydroxychromen-4-one (PubChem CID 44610309) has the molecular formula C17H14O6 and a molecular weight of 314.29 g/mol. Its IUPAC name is 2-(3,4-dihydroxyphenyl)-5-ethoxy-7-hydroxychromen-4-one.

Molecular Properties

Compound Name2-(3,4-dihydroxyphenyl)-5-ethoxy-7-hydroxychromen-4-one
PubChem CID44610309
Molecular FormulaC17H14O6
Molecular Weight314.29 g/mol
Exact Mass314.08
IUPAC Name2-(3,4-dihydroxyphenyl)-5-ethoxy-7-hydroxychromen-4-one
SMILESCCOc1cc(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12
InChIInChI=1S/C17H14O6/c1-2-22-15-6-10(18)7-16-17(15)13(21)8-14(23-16)9-3-4-11(19)12(20)5-9/h3-8,18-20H,2H2,1H3
InChIKeyAMNGHMSGIHDILP-UHFFFAOYSA-N
XLogP2.98
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 2-(3,4-dihydroxyphenyl)-5-ethoxy-7-hydroxychromen-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-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2,4,4-trimethylcyclohexen-1-yl)methoxy]chromen-4-one
CID 170366896
[2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxochromen-5-yl] 2-methylpropanoate
CID 44610153
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;methoxymethane
CID 67363741
5,7-diethoxy-2-(4-ethoxyphenyl)chromen-4-one
CID 174788047
2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 163014046
5,7-dihydroxy-2-[4-hydroxy-3-(trideuteriomethoxy)phenyl]chromen-4-one
CID 71314865
2-(3,4-dimethoxyphenyl)-7-(2-hydroxyethoxy)-5-methoxychromen-4-one;2-(3,4-dimethoxyphenyl)-7-hydroxy-5-methoxychromen-4-one
CID 157085920
2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
CID 74977672
7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxychromen-4-one
CID 69325736
(7-hydroxy-4-oxo-2-phenylchromen-5-yl) hexanoate
CID 11035561
5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;ethane
CID 90949026
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 11650051

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxyphenyl)-5-ethoxy-7-hydroxychromen-4-one?
The IUPAC name of 2-(3,4-dihydroxyphenyl)-5-ethoxy-7-hydroxychromen-4-one (CID 44610309) is 2-(3,4-dihydroxyphenyl)-5-ethoxy-7-hydroxychromen-4-one.
What is the SMILES notation for 2-(3,4-dihydroxyphenyl)-5-ethoxy-7-hydroxychromen-4-one?
The canonical SMILES for 2-(3,4-dihydroxyphenyl)-5-ethoxy-7-hydroxychromen-4-one is CCOc1cc(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12.
What is the InChIKey of 2-(3,4-dihydroxyphenyl)-5-ethoxy-7-hydroxychromen-4-one?
The InChIKey is AMNGHMSGIHDILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O6/c1-2-22-15-6-10(18)7-16-17(15)13(21)8-14(23-16)9-3-4-11(19)12(20)5-9/h3-8,18-20H,2H2,1H3.
What are the key properties of 2-(3,4-dihydroxyphenyl)-5-ethoxy-7-hydroxychromen-4-one?
2-(3,4-dihydroxyphenyl)-5-ethoxy-7-hydroxychromen-4-one has a molecular weight of 314.29 g/mol, XLogP of 2.98, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxyphenyl)-5-ethoxy-7-hydroxychromen-4-one is sourced from PubChem (CID 44610309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).