5,7-dihydroxy-2-phenylchromen-4-one;2-phenylchromen-4-one

C30H20O6 — CID 68816707

IUPAC5,7-dihydroxy-2-phenylchromen-4-one;2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12.O=c1cc(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C15H10O4.C15H10O2/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9;16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-8,16-17H;1-10H
InChIKeyKLKLLWSQMAVJPN-UHFFFAOYSA-N
MW476.48 g/mol
LogP6.33
Rot. Bonds2

About 5,7-dihydroxy-2-phenylchromen-4-one;2-phenylchromen-4-one

5,7-dihydroxy-2-phenylchromen-4-one;2-phenylchromen-4-one (PubChem CID 68816707) has the molecular formula C30H20O6 and a molecular weight of 476.48 g/mol. Its IUPAC name is 5,7-dihydroxy-2-phenylchromen-4-one;2-phenylchromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-2-phenylchromen-4-one;2-phenylchromen-4-one
PubChem CID68816707
Molecular FormulaC30H20O6
Molecular Weight476.48 g/mol
Exact Mass476.13
IUPAC Name5,7-dihydroxy-2-phenylchromen-4-one;2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12.O=c1cc(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C15H10O4.C15H10O2/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9;16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-8,16-17H;1-10H
InChIKeyKLKLLWSQMAVJPN-UHFFFAOYSA-N
XLogP6.33
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.48
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-hydroxy-7-methoxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 161118058
5,7-dihydroxy-2-phenylchromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 69450862
bis(5,7-dihydroxy-2-phenylchromen-4-one);sulfuric acid
CID 174670813
2-phenylchromen-4-one
CID 90124083
copper;2-phenylchromen-4-one
CID 175169427
CID 172853606
CID 172853606
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
5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;ethane
CID 90949026
5,7-dihydroxy-2-[3-(4-hydroxyphenyl)phenyl]chromen-4-one
CID 155754085
2-(3-chlorophenyl)-5,7-dihydroxychromen-4-one
CID 5480905
7-hydroxy-2-phenylchromen-4-one
CID 5281894
CID 159796273
CID 159796273

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-2-phenylchromen-4-one;2-phenylchromen-4-one?
The IUPAC name of 5,7-dihydroxy-2-phenylchromen-4-one;2-phenylchromen-4-one (CID 68816707) is 5,7-dihydroxy-2-phenylchromen-4-one;2-phenylchromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-2-phenylchromen-4-one;2-phenylchromen-4-one?
The canonical SMILES for 5,7-dihydroxy-2-phenylchromen-4-one;2-phenylchromen-4-one is O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12.O=c1cc(-c2ccccc2)oc2ccccc12.
What is the InChIKey of 5,7-dihydroxy-2-phenylchromen-4-one;2-phenylchromen-4-one?
The InChIKey is KLKLLWSQMAVJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O4.C15H10O2/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9;16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-8,16-17H;1-10H.
What are the key properties of 5,7-dihydroxy-2-phenylchromen-4-one;2-phenylchromen-4-one?
5,7-dihydroxy-2-phenylchromen-4-one;2-phenylchromen-4-one has a molecular weight of 476.48 g/mol, XLogP of 6.33, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-2-phenylchromen-4-one;2-phenylchromen-4-one is sourced from PubChem (CID 68816707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).