ethane;5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-2,3-dihydrochromen-4-one

C19H22O6 — CID 169180213

IUPACethane;5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-2,3-dihydrochromen-4-one
SMILESCC.COc1ccc(C2Oc3cccc(O)c3C(=O)C2OC)cc1O
InChIInChI=1S/C17H16O6.C2H6/c1-21-12-7-6-9(8-11(12)19)16-17(22-2)15(20)14-10(18)4-3-5-13(14)23-16;1-2/h3-8,16-19H,1-2H3;1-2H3
InChIKeyUNFSJFNYLYIQLH-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.46
Rot. Bonds3

About ethane;5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-2,3-dihydrochromen-4-one

ethane;5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-2,3-dihydrochromen-4-one (PubChem CID 169180213) has the molecular formula C19H22O6 and a molecular weight of 346.38 g/mol. Its IUPAC name is ethane;5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Nameethane;5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-2,3-dihydrochromen-4-one
PubChem CID169180213
Molecular FormulaC19H22O6
Molecular Weight346.38 g/mol
Exact Mass346.14
IUPAC Nameethane;5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-2,3-dihydrochromen-4-one
SMILESCC.COc1ccc(C2Oc3cccc(O)c3C(=O)C2OC)cc1O
InChIInChI=1S/C17H16O6.C2H6/c1-21-12-7-6-9(8-11(12)19)16-17(22-2)15(20)14-10(18)4-3-5-13(14)23-16;1-2/h3-8,16-19H,1-2H3;1-2H3
InChIKeyUNFSJFNYLYIQLH-UHFFFAOYSA-N
XLogP3.46
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethoxy-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 169180209
(3S)-8-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-3,4-dihydroisochromen-1-one
CID 10493415
5,7-dihydroxy-3-methoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 14794877
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]-2,3-dihydrochromen-4-one
CID 132532244
(2S,3S)-2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-2,3-dihydrochromen-4-one
CID 23270520
3,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 141131707
3-ethoxy-7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 169180211
[(2S,3S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-2,3-dihydrochromen-3-yl] acetate
CID 162860029
[2-(3,4-diacetyloxyphenyl)-5-hydroxy-7-methoxy-4-oxo-2,3-dihydrochromen-3-yl] acetate
CID 11259330
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
5,7-dihydroxy-3,8-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 24868417
[(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-3-yl] acetate
CID 162987253

Frequently Asked Questions

What is the IUPAC name of ethane;5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-2,3-dihydrochromen-4-one?
The IUPAC name of ethane;5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-2,3-dihydrochromen-4-one (CID 169180213) is ethane;5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for ethane;5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-2,3-dihydrochromen-4-one?
The canonical SMILES for ethane;5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-2,3-dihydrochromen-4-one is CC.COc1ccc(C2Oc3cccc(O)c3C(=O)C2OC)cc1O.
What is the InChIKey of ethane;5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-2,3-dihydrochromen-4-one?
The InChIKey is UNFSJFNYLYIQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O6.C2H6/c1-21-12-7-6-9(8-11(12)19)16-17(22-2)15(20)14-10(18)4-3-5-13(14)23-16;1-2/h3-8,16-19H,1-2H3;1-2H3.
What are the key properties of ethane;5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-2,3-dihydrochromen-4-one?
ethane;5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-2,3-dihydrochromen-4-one has a molecular weight of 346.38 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 169180213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).