5,7-dihydroxy-3-methoxy-2-phenyl-2,3-dihydrochromen-4-one

C16H14O5 — CID 14794877

IUPAC5,7-dihydroxy-3-methoxy-2-phenyl-2,3-dihydrochromen-4-one
SMILESCOC1C(=O)c2c(O)cc(O)cc2OC1c1ccccc1
InChIInChI=1S/C16H14O5/c1-20-16-14(19)13-11(18)7-10(17)8-12(13)21-15(16)9-5-3-2-4-6-9/h2-8,15-18H,1H3
InChIKeyNWNHVJMRRDSFHQ-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.43
Rot. Bonds2

About 5,7-dihydroxy-3-methoxy-2-phenyl-2,3-dihydrochromen-4-one

5,7-dihydroxy-3-methoxy-2-phenyl-2,3-dihydrochromen-4-one (PubChem CID 14794877) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is 5,7-dihydroxy-3-methoxy-2-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-3-methoxy-2-phenyl-2,3-dihydrochromen-4-one
PubChem CID14794877
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name5,7-dihydroxy-3-methoxy-2-phenyl-2,3-dihydrochromen-4-one
SMILESCOC1C(=O)c2c(O)cc(O)cc2OC1c1ccccc1
InChIInChI=1S/C16H14O5/c1-20-16-14(19)13-11(18)7-10(17)8-12(13)21-15(16)9-5-3-2-4-6-9/h2-8,15-18H,1H3
InChIKeyNWNHVJMRRDSFHQ-UHFFFAOYSA-N
XLogP2.43
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-dihydroxy-3-methoxy-2-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydrochromen-4-one
CID 22954416
[(2R,3R)-5,7-dihydroxy-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl] hexanoate
CID 162913708
[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] acetate
CID 14861264
5,7-dihydroxy-3,8-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 24868417
(2S,3R)-3,5,7-trihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 162915885
[(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-3-yl] acetate
CID 162987253
3-methoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 14713900
(2S,3R)-3-[(2R,3R)-5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 124870899
3-ethoxy-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 169180209
3,7-dihydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 597405
(2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one
CID 6453452
(2S,3S,4S,5R,6R)-6-[[(2R,3R)-5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 162985014

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-3-methoxy-2-phenyl-2,3-dihydrochromen-4-one?
The IUPAC name of 5,7-dihydroxy-3-methoxy-2-phenyl-2,3-dihydrochromen-4-one (CID 14794877) is 5,7-dihydroxy-3-methoxy-2-phenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-3-methoxy-2-phenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 5,7-dihydroxy-3-methoxy-2-phenyl-2,3-dihydrochromen-4-one is COC1C(=O)c2c(O)cc(O)cc2OC1c1ccccc1.
What is the InChIKey of 5,7-dihydroxy-3-methoxy-2-phenyl-2,3-dihydrochromen-4-one?
The InChIKey is NWNHVJMRRDSFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c1-20-16-14(19)13-11(18)7-10(17)8-12(13)21-15(16)9-5-3-2-4-6-9/h2-8,15-18H,1H3.
What are the key properties of 5,7-dihydroxy-3-methoxy-2-phenyl-2,3-dihydrochromen-4-one?
5,7-dihydroxy-3-methoxy-2-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 286.28 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-3-methoxy-2-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 14794877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).