5-hydroxy-7-methoxy-2-phenylchromen-4-one;2-phenylchromen-4-one

C31H22O6 — CID 161118058

IUPAC5-hydroxy-7-methoxy-2-phenylchromen-4-one;2-phenylchromen-4-one
SMILESCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1.O=c1cc(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C16H12O4.C15H10O2/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10;16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h2-9,17H,1H3;1-10H
InChIKeyUKOSFZHSKGHEID-UHFFFAOYSA-N
MW490.51 g/mol
LogP6.63
Rot. Bonds3

About 5-hydroxy-7-methoxy-2-phenylchromen-4-one;2-phenylchromen-4-one

5-hydroxy-7-methoxy-2-phenylchromen-4-one;2-phenylchromen-4-one (PubChem CID 161118058) has the molecular formula C31H22O6 and a molecular weight of 490.51 g/mol. Its IUPAC name is 5-hydroxy-7-methoxy-2-phenylchromen-4-one;2-phenylchromen-4-one.

Molecular Properties

Compound Name5-hydroxy-7-methoxy-2-phenylchromen-4-one;2-phenylchromen-4-one
PubChem CID161118058
Molecular FormulaC31H22O6
Molecular Weight490.51 g/mol
Exact Mass490.14
IUPAC Name5-hydroxy-7-methoxy-2-phenylchromen-4-one;2-phenylchromen-4-one
SMILESCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1.O=c1cc(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C16H12O4.C15H10O2/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10;16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h2-9,17H,1H3;1-10H
InChIKeyUKOSFZHSKGHEID-UHFFFAOYSA-N
XLogP6.63
TPSA89.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.51
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5,7-dihydroxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 68816707
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 5281617
5-hydroxy-2-(2-hydroxyphenyl)-7-methoxychromen-4-one
CID 15559079
2-phenylchromen-4-one
CID 90124083
5,7-dihydroxy-2-phenylchromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 69450862
copper;2-phenylchromen-4-one
CID 175169427
bis(5,7-dihydroxy-2-phenylchromen-4-one);sulfuric acid
CID 174670813
7-dimethoxyphosphoryl-5-hydroxy-2-phenylchromen-4-one
CID 22280813
methyl (2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate
CID 5397954
5-hydroxy-3,7-dimethoxy-2-phenylchromen-4-one
CID 139068259
5-hydroxy-7-(2-hydroxyethoxy)-2-phenylchromen-4-one
CID 15896568
2-(3-benzyl-4,5-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one
CID 127045296

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7-methoxy-2-phenylchromen-4-one;2-phenylchromen-4-one?
The IUPAC name of 5-hydroxy-7-methoxy-2-phenylchromen-4-one;2-phenylchromen-4-one (CID 161118058) is 5-hydroxy-7-methoxy-2-phenylchromen-4-one;2-phenylchromen-4-one.
What is the SMILES notation for 5-hydroxy-7-methoxy-2-phenylchromen-4-one;2-phenylchromen-4-one?
The canonical SMILES for 5-hydroxy-7-methoxy-2-phenylchromen-4-one;2-phenylchromen-4-one is COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1.O=c1cc(-c2ccccc2)oc2ccccc12.
What is the InChIKey of 5-hydroxy-7-methoxy-2-phenylchromen-4-one;2-phenylchromen-4-one?
The InChIKey is UKOSFZHSKGHEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4.C15H10O2/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10;16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h2-9,17H,1H3;1-10H.
What are the key properties of 5-hydroxy-7-methoxy-2-phenylchromen-4-one;2-phenylchromen-4-one?
5-hydroxy-7-methoxy-2-phenylchromen-4-one;2-phenylchromen-4-one has a molecular weight of 490.51 g/mol, XLogP of 6.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-methoxy-2-phenylchromen-4-one;2-phenylchromen-4-one is sourced from PubChem (CID 161118058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).