5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;(3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol

C45H34O12 — CID 23729149

IUPAC5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;(3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
SMILESO=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12.O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12.Oc1ccc([C@H]2COc3cc(O)ccc3C2)cc1
InChIInChI=1S/C15H10O5.C15H10O4.C15H14O3/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19;16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18;16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-7,16-18H;1-8,16-17H;1-6,8,12,16-17H,7,9H2/t;;12-/m..1/s1
InChIKeyUMQNWWVBEMHKDE-QHVKHFMPSA-N
MW766.76 g/mol
LogP8.26
Rot. Bonds3

About 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;(3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol

5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;(3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol (PubChem CID 23729149) has the molecular formula C45H34O12 and a molecular weight of 766.76 g/mol. Its IUPAC name is 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;(3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;(3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
PubChem CID23729149
Molecular FormulaC45H34O12
Molecular Weight766.76 g/mol
Exact Mass766.21
IUPAC Name5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;(3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
SMILESO=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12.O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12.Oc1ccc([C@H]2COc3cc(O)ccc3C2)cc1
InChIInChI=1S/C15H10O5.C15H10O4.C15H14O3/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19;16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18;16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-7,16-18H;1-8,16-17H;1-6,8,12,16-17H,7,9H2/t;;12-/m..1/s1
InChIKeyUMQNWWVBEMHKDE-QHVKHFMPSA-N
XLogP8.26
TPSA211.26 Ų
H-Bond Donors7
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500766.76
LogP ≤ 58.26
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1012

Analyze 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;(3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol with MolForge

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Related Compounds

CID 66722646
CID 66722646
7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;methane;methanol
CID 158152525
calcium;5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;hydride
CID 173012040
5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
CID 161247477
3-(4-chlorophenyl)-5,7-dihydroxychromen-4-one
CID 5398360
4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,2-diol
CID 52941222
3-(4-acetylphenyl)-7-hydroxychromen-4-one
CID 71506237
4-(7-hydroxy-4-oxochromen-3-yl)benzoic acid
CID 67365953
5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;bis(pyridine-4-carboxamide)
CID 139061674
7-hydroxy-3-[4-(trifluoromethyl)phenyl]chromen-4-one
CID 25211267
3-(4-ethenylphenyl)-7-hydroxychromen-4-one
CID 71481413
3-(3-chloro-4-hydroxyphenyl)-5,7-dihydroxychromen-4-one
CID 90876444

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;(3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;(3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol (CID 23729149) is 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;(3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;(3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;(3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol is O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12.O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12.Oc1ccc([C@H]2COc3cc(O)ccc3C2)cc1.
What is the InChIKey of 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;(3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is UMQNWWVBEMHKDE-QHVKHFMPSA-N. The full InChI is InChI=1S/C15H10O5.C15H10O4.C15H14O3/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19;16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18;16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-7,16-18H;1-8,16-17H;1-6,8,12,16-17H,7,9H2/t;;12-/m..1/s1.
What are the key properties of 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;(3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;(3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 766.76 g/mol, XLogP of 8.26, 3 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;(3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 23729149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).