5-hydroxy-3-(2-hydroxyphenyl)-6,7-dimethoxychromen-4-one

C17H14O6 — CID 5491550

IUPAC5-hydroxy-3-(2-hydroxyphenyl)-6,7-dimethoxychromen-4-one
SMILESCOc1cc2occ(-c3ccccc3O)c(=O)c2c(O)c1OC
InChIInChI=1S/C17H14O6/c1-21-13-7-12-14(16(20)17(13)22-2)15(19)10(8-23-12)9-5-3-4-6-11(9)18/h3-8,18,20H,1-2H3
InChIKeyHVYFRUIBILXVBU-UHFFFAOYSA-N
MW314.29 g/mol
LogP2.89
Rot. Bonds3

About 5-hydroxy-3-(2-hydroxyphenyl)-6,7-dimethoxychromen-4-one

5-hydroxy-3-(2-hydroxyphenyl)-6,7-dimethoxychromen-4-one (PubChem CID 5491550) has the molecular formula C17H14O6 and a molecular weight of 314.29 g/mol. Its IUPAC name is 5-hydroxy-3-(2-hydroxyphenyl)-6,7-dimethoxychromen-4-one.

Molecular Properties

Compound Name5-hydroxy-3-(2-hydroxyphenyl)-6,7-dimethoxychromen-4-one
PubChem CID5491550
Molecular FormulaC17H14O6
Molecular Weight314.29 g/mol
Exact Mass314.08
IUPAC Name5-hydroxy-3-(2-hydroxyphenyl)-6,7-dimethoxychromen-4-one
SMILESCOc1cc2occ(-c3ccccc3O)c(=O)c2c(O)c1OC
InChIInChI=1S/C17H14O6/c1-21-13-7-12-14(16(20)17(13)22-2)15(19)10(8-23-12)9-5-3-4-6-11(9)18/h3-8,18,20H,1-2H3
InChIKeyHVYFRUIBILXVBU-UHFFFAOYSA-N
XLogP2.89
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
CID 162855951
5-hydroxy-6,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one
CID 10830108
5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxychromen-4-one
CID 5464170
5,7-dihydroxy-3-(3-hydroxyphenyl)-6-methoxychromen-4-one
CID 70183681
7-ethoxy-3-(4-ethoxyphenyl)-5-hydroxy-6-methoxychromen-4-one
CID 46840811
3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxychromen-4-one
CID 46879792
3-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one
CID 10804003
6-[(2S)-2,3-dihydroxy-3-methylbutyl]-3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one
CID 163052210
5-hydroxy-6,7-dimethoxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
CID 163004931
5-hydroxy-6,7-dimethoxy-3-[4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
CID 163004933
5-hydroxy-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 102442732
7-hydroxy-5,8-dimethoxy-3-phenylchromen-4-one
CID 71418255

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-(2-hydroxyphenyl)-6,7-dimethoxychromen-4-one?
The IUPAC name of 5-hydroxy-3-(2-hydroxyphenyl)-6,7-dimethoxychromen-4-one (CID 5491550) is 5-hydroxy-3-(2-hydroxyphenyl)-6,7-dimethoxychromen-4-one.
What is the SMILES notation for 5-hydroxy-3-(2-hydroxyphenyl)-6,7-dimethoxychromen-4-one?
The canonical SMILES for 5-hydroxy-3-(2-hydroxyphenyl)-6,7-dimethoxychromen-4-one is COc1cc2occ(-c3ccccc3O)c(=O)c2c(O)c1OC.
What is the InChIKey of 5-hydroxy-3-(2-hydroxyphenyl)-6,7-dimethoxychromen-4-one?
The InChIKey is HVYFRUIBILXVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O6/c1-21-13-7-12-14(16(20)17(13)22-2)15(19)10(8-23-12)9-5-3-4-6-11(9)18/h3-8,18,20H,1-2H3.
What are the key properties of 5-hydroxy-3-(2-hydroxyphenyl)-6,7-dimethoxychromen-4-one?
5-hydroxy-3-(2-hydroxyphenyl)-6,7-dimethoxychromen-4-one has a molecular weight of 314.29 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-(2-hydroxyphenyl)-6,7-dimethoxychromen-4-one is sourced from PubChem (CID 5491550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).