4,5,7-trihydroxy-2-(2-hydroxyphenyl)-4H-chromen-3-one

C15H12O6 — CID 121493978

IUPAC4,5,7-trihydroxy-2-(2-hydroxyphenyl)-4H-chromen-3-one
SMILESO=C1C(O)c2c(O)cc(O)cc2OC1c1ccccc1O
InChIInChI=1S/C15H12O6/c16-7-5-10(18)12-11(6-7)21-15(14(20)13(12)19)8-3-1-2-4-9(8)17/h1-6,13,15-19H
InChIKeyGQQYTIVOMSHFKX-UHFFFAOYSA-N
MW288.25 g/mol
LogP1.54
Rot. Bonds1

About 4,5,7-trihydroxy-2-(2-hydroxyphenyl)-4H-chromen-3-one

4,5,7-trihydroxy-2-(2-hydroxyphenyl)-4H-chromen-3-one (PubChem CID 121493978) has the molecular formula C15H12O6 and a molecular weight of 288.25 g/mol. Its IUPAC name is 4,5,7-trihydroxy-2-(2-hydroxyphenyl)-4H-chromen-3-one.

Molecular Properties

Compound Name4,5,7-trihydroxy-2-(2-hydroxyphenyl)-4H-chromen-3-one
PubChem CID121493978
Molecular FormulaC15H12O6
Molecular Weight288.25 g/mol
Exact Mass288.06
IUPAC Name4,5,7-trihydroxy-2-(2-hydroxyphenyl)-4H-chromen-3-one
SMILESO=C1C(O)c2c(O)cc(O)cc2OC1c1ccccc1O
InChIInChI=1S/C15H12O6/c16-7-5-10(18)12-11(6-7)21-15(14(20)13(12)19)8-3-1-2-4-9(8)17/h1-6,13,15-19H
InChIKeyGQQYTIVOMSHFKX-UHFFFAOYSA-N
XLogP1.54
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 51.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-dihydroxy-7-methoxy-2-phenyl-4H-chromen-3-one
CID 69045097
2-(3,4-dihydroxyphenyl)-4,7-dihydroxy-5-methoxy-4H-chromen-3-one
CID 91597186
4,5,7-trihydroxy-2-[(2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4H-chromen-3-one
CID 91079214
(2R)-2,4,5,7-tetrahydroxy-2-(4-hydroxyphenyl)-4H-chromen-3-one
CID 91270469
2-phenyl-3,4-dihydro-2H-chromene-3,4,5,7-tetrol
CID 66548355
2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
CID 71307292
2-phenyl-2,4-dihydrochromene-3,3,4,5,7-pentol
CID 70700187
(2R,3R)-8-[(2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 142844762
3-(2,5-dihydroxyphenyl)-3H-2-benzofuran-1-one
CID 71442115
(2R,3R,10S,11R,19S)-3,11,19-tris(4-hydroxyphenyl)-20-oxahexacyclo[16.6.1.02,10.04,9.012,17.021,25]pentacosa-1(25),4(9),5,7,12(17),13,15,21,23-nonaene-5,7,13,15,23-pentol
CID 162924102
(1R,8R,9S,16S)-8,16-bis(4-hydroxyphenyl)-9-[(1R,8R,9R,16S)-4,6,12-trihydroxy-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaen-9-yl]-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol
CID 71595613
(1S,8S,9S,16S)-8,16-bis(4-hydroxyphenyl)-9-[(1S,8S,9S,16S)-4,6,12-trihydroxy-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaen-9-yl]-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol
CID 101094666

Frequently Asked Questions

What is the IUPAC name of 4,5,7-trihydroxy-2-(2-hydroxyphenyl)-4H-chromen-3-one?
The IUPAC name of 4,5,7-trihydroxy-2-(2-hydroxyphenyl)-4H-chromen-3-one (CID 121493978) is 4,5,7-trihydroxy-2-(2-hydroxyphenyl)-4H-chromen-3-one.
What is the SMILES notation for 4,5,7-trihydroxy-2-(2-hydroxyphenyl)-4H-chromen-3-one?
The canonical SMILES for 4,5,7-trihydroxy-2-(2-hydroxyphenyl)-4H-chromen-3-one is O=C1C(O)c2c(O)cc(O)cc2OC1c1ccccc1O.
What is the InChIKey of 4,5,7-trihydroxy-2-(2-hydroxyphenyl)-4H-chromen-3-one?
The InChIKey is GQQYTIVOMSHFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O6/c16-7-5-10(18)12-11(6-7)21-15(14(20)13(12)19)8-3-1-2-4-9(8)17/h1-6,13,15-19H.
What are the key properties of 4,5,7-trihydroxy-2-(2-hydroxyphenyl)-4H-chromen-3-one?
4,5,7-trihydroxy-2-(2-hydroxyphenyl)-4H-chromen-3-one has a molecular weight of 288.25 g/mol, XLogP of 1.54, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,7-trihydroxy-2-(2-hydroxyphenyl)-4H-chromen-3-one is sourced from PubChem (CID 121493978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).