7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;methane;methanol

C32H30O9 — CID 158152525

IUPAC7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;methane;methanol
SMILESC.CO.O=C1c2ccc(O)cc2OCC1c1ccc(O)cc1.O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12
InChIInChI=1S/C15H12O4.C15H10O4.CH4O.CH4/c2*16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18;1-2;/h1-7,13,16-17H,8H2;1-8,16-17H;2H,1H3;1H4
InChIKeyFVHDYPGGUGHGRU-UHFFFAOYSA-N
MW558.58 g/mol
LogP5.57
Rot. Bonds2

About 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;methane;methanol

7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;methane;methanol (PubChem CID 158152525) has the molecular formula C32H30O9 and a molecular weight of 558.58 g/mol. Its IUPAC name is 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;methane;methanol.

Molecular Properties

Compound Name7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;methane;methanol
PubChem CID158152525
Molecular FormulaC32H30O9
Molecular Weight558.58 g/mol
Exact Mass558.19
IUPAC Name7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;methane;methanol
SMILESC.CO.O=C1c2ccc(O)cc2OCC1c1ccc(O)cc1.O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12
InChIInChI=1S/C15H12O4.C15H10O4.CH4O.CH4/c2*16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18;1-2;/h1-7,13,16-17H,8H2;1-8,16-17H;2H,1H3;1H4
InChIKeyFVHDYPGGUGHGRU-UHFFFAOYSA-N
XLogP5.57
TPSA157.66 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.58
LogP ≤ 55.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;methane;methanol?
The IUPAC name of 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;methane;methanol (CID 158152525) is 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;methane;methanol.
What is the SMILES notation for 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;methane;methanol?
The canonical SMILES for 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;methane;methanol is C.CO.O=C1c2ccc(O)cc2OCC1c1ccc(O)cc1.O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12.
What is the InChIKey of 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;methane;methanol?
The InChIKey is FVHDYPGGUGHGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4.C15H10O4.CH4O.CH4/c2*16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18;1-2;/h1-7,13,16-17H,8H2;1-8,16-17H;2H,1H3;1H4.
What are the key properties of 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;methane;methanol?
7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;methane;methanol has a molecular weight of 558.58 g/mol, XLogP of 5.57, 2 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;methane;methanol is sourced from PubChem (CID 158152525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).