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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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).