5,7-dihydroxy-2-phenylchromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one

C30H20O8 — CID 69450862

IUPAC5,7-dihydroxy-2-phenylchromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
SMILESO=c1cc(-c2ccc(O)cc2)oc2cccc(O)c12.O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12
InChIInChI=1S/2C15H10O4/c16-10-6-4-9(5-7-10)14-8-12(18)15-11(17)2-1-3-13(15)19-14;16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h2*1-8,16-17H
InChIKeyQWCJLEKYFZSNMJ-UHFFFAOYSA-N
MW508.48 g/mol
LogP5.74
Rot. Bonds2

About 5,7-dihydroxy-2-phenylchromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one

5,7-dihydroxy-2-phenylchromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one (PubChem CID 69450862) has the molecular formula C30H20O8 and a molecular weight of 508.48 g/mol. Its IUPAC name is 5,7-dihydroxy-2-phenylchromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-2-phenylchromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
PubChem CID69450862
Molecular FormulaC30H20O8
Molecular Weight508.48 g/mol
Exact Mass508.12
IUPAC Name5,7-dihydroxy-2-phenylchromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
SMILESO=c1cc(-c2ccc(O)cc2)oc2cccc(O)c12.O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12
InChIInChI=1S/2C15H10O4/c16-10-6-4-9(5-7-10)14-8-12(18)15-11(17)2-1-3-13(15)19-14;16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h2*1-8,16-17H
InChIKeyQWCJLEKYFZSNMJ-UHFFFAOYSA-N
XLogP5.74
TPSA141.34 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.48
LogP ≤ 55.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

5,7-dihydroxy-2-[3-(4-hydroxyphenyl)phenyl]chromen-4-one
CID 155754085
5,7-dihydroxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 68816707
bis(5,7-dihydroxy-2-phenylchromen-4-one);sulfuric acid
CID 174670813
CID 172853606
CID 172853606
5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;ethane
CID 90949026
2-(3-chlorophenyl)-5,7-dihydroxychromen-4-one
CID 5480905
5,7-dihydroxy-6-(hydroxymethyl)-2-phenylchromen-4-one;5,7-dihydroxy-2-phenylchromen-4-one;5,6,7-trihydroxy-2-phenylchromen-4-one
CID 159238028
[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenyl]boronic acid
CID 71504390
5-hydroxy-7-methoxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 161118058
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 5281617
5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one;octadecanoic acid
CID 25173870
7-anilino-5-hydroxy-2-phenylchromen-4-one
CID 164946024

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-2-phenylchromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one?
The IUPAC name of 5,7-dihydroxy-2-phenylchromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one (CID 69450862) is 5,7-dihydroxy-2-phenylchromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-2-phenylchromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one?
The canonical SMILES for 5,7-dihydroxy-2-phenylchromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one is O=c1cc(-c2ccc(O)cc2)oc2cccc(O)c12.O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12.
What is the InChIKey of 5,7-dihydroxy-2-phenylchromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one?
The InChIKey is QWCJLEKYFZSNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H10O4/c16-10-6-4-9(5-7-10)14-8-12(18)15-11(17)2-1-3-13(15)19-14;16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h2*1-8,16-17H.
What are the key properties of 5,7-dihydroxy-2-phenylchromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one?
5,7-dihydroxy-2-phenylchromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one has a molecular weight of 508.48 g/mol, XLogP of 5.74, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-2-phenylchromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one is sourced from PubChem (CID 69450862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).