5,7-dihydroxy-3-(3-hydroxyphenyl)-6-methoxychromen-4-one

C16H12O6 — CID 70183681

IUPAC5,7-dihydroxy-3-(3-hydroxyphenyl)-6-methoxychromen-4-one
SMILESCOc1c(O)cc2occ(-c3cccc(O)c3)c(=O)c2c1O
InChIInChI=1S/C16H12O6/c1-21-16-11(18)6-12-13(15(16)20)14(19)10(7-22-12)8-3-2-4-9(17)5-8/h2-7,17-18,20H,1H3
InChIKeyRJBLZPRFFWBNKI-UHFFFAOYSA-N
MW300.27 g/mol
LogP2.59
Rot. Bonds2

About 5,7-dihydroxy-3-(3-hydroxyphenyl)-6-methoxychromen-4-one

5,7-dihydroxy-3-(3-hydroxyphenyl)-6-methoxychromen-4-one (PubChem CID 70183681) has the molecular formula C16H12O6 and a molecular weight of 300.27 g/mol. Its IUPAC name is 5,7-dihydroxy-3-(3-hydroxyphenyl)-6-methoxychromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-3-(3-hydroxyphenyl)-6-methoxychromen-4-one
PubChem CID70183681
Molecular FormulaC16H12O6
Molecular Weight300.27 g/mol
Exact Mass300.06
IUPAC Name5,7-dihydroxy-3-(3-hydroxyphenyl)-6-methoxychromen-4-one
SMILESCOc1c(O)cc2occ(-c3cccc(O)c3)c(=O)c2c1O
InChIInChI=1S/C16H12O6/c1-21-16-11(18)6-12-13(15(16)20)14(19)10(7-22-12)8-3-2-4-9(17)5-8/h2-7,17-18,20H,1H3
InChIKeyRJBLZPRFFWBNKI-UHFFFAOYSA-N
XLogP2.59
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxychromen-4-one
CID 5464170
3-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
CID 162855951
5-hydroxy-3-(2-hydroxyphenyl)-6,7-dimethoxychromen-4-one
CID 5491550
3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxychromen-4-one
CID 46879792
5-hydroxy-6,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one
CID 10830108
3,9-bis(3,4-dimethoxyphenyl)-5-hydroxypyrano[2,3-h]chromene-4,10-dione
CID 127051628
3,7-bis(3-chlorophenyl)-5-hydroxypyrano[3,2-g]chromene-4,6-dione
CID 127050396
3-amino-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one
CID 89116863
7-hydroxy-5,8-dimethoxy-3-phenylchromen-4-one
CID 71418255
7-ethoxy-3-(4-ethoxyphenyl)-5-hydroxy-6-methoxychromen-4-one
CID 46840811
5,7-dihydroxy-6-methoxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]chromen-4-one
CID 11972472
3-(4-aminophenyl)-5,7-dihydroxy-8-methoxychromen-4-one
CID 70652570

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-3-(3-hydroxyphenyl)-6-methoxychromen-4-one?
The IUPAC name of 5,7-dihydroxy-3-(3-hydroxyphenyl)-6-methoxychromen-4-one (CID 70183681) is 5,7-dihydroxy-3-(3-hydroxyphenyl)-6-methoxychromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-3-(3-hydroxyphenyl)-6-methoxychromen-4-one?
The canonical SMILES for 5,7-dihydroxy-3-(3-hydroxyphenyl)-6-methoxychromen-4-one is COc1c(O)cc2occ(-c3cccc(O)c3)c(=O)c2c1O.
What is the InChIKey of 5,7-dihydroxy-3-(3-hydroxyphenyl)-6-methoxychromen-4-one?
The InChIKey is RJBLZPRFFWBNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O6/c1-21-16-11(18)6-12-13(15(16)20)14(19)10(7-22-12)8-3-2-4-9(17)5-8/h2-7,17-18,20H,1H3.
What are the key properties of 5,7-dihydroxy-3-(3-hydroxyphenyl)-6-methoxychromen-4-one?
5,7-dihydroxy-3-(3-hydroxyphenyl)-6-methoxychromen-4-one has a molecular weight of 300.27 g/mol, XLogP of 2.59, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-3-(3-hydroxyphenyl)-6-methoxychromen-4-one is sourced from PubChem (CID 70183681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).