2-(4-hydroxy-3-methoxyphenyl)-6-phenylpyran-4-one

C18H14O4 — CID 10880922

IUPAC2-(4-hydroxy-3-methoxyphenyl)-6-phenylpyran-4-one
SMILESCOc1cc(-c2cc(=O)cc(-c3ccccc3)o2)ccc1O
InChIInChI=1S/C18H14O4/c1-21-18-9-13(7-8-15(18)20)17-11-14(19)10-16(22-17)12-5-3-2-4-6-12/h2-11,20H,1H3
InChIKeyBWPAECOCEJILPT-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.69
Rot. Bonds3

About 2-(4-hydroxy-3-methoxyphenyl)-6-phenylpyran-4-one

2-(4-hydroxy-3-methoxyphenyl)-6-phenylpyran-4-one (PubChem CID 10880922) has the molecular formula C18H14O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methoxyphenyl)-6-phenylpyran-4-one.

Molecular Properties

Compound Name2-(4-hydroxy-3-methoxyphenyl)-6-phenylpyran-4-one
PubChem CID10880922
Molecular FormulaC18H14O4
Molecular Weight294.31 g/mol
Exact Mass294.09
IUPAC Name2-(4-hydroxy-3-methoxyphenyl)-6-phenylpyran-4-one
SMILESCOc1cc(-c2cc(=O)cc(-c3ccccc3)o2)ccc1O
InChIInChI=1S/C18H14O4/c1-21-18-9-13(7-8-15(18)20)17-11-14(19)10-16(22-17)12-5-3-2-4-6-12/h2-11,20H,1H3
InChIKeyBWPAECOCEJILPT-UHFFFAOYSA-N
XLogP3.69
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 100995351
2-methoxy-6-phenylpyran-4-one
CID 568371
8-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 165429824
4-(4-hydroxy-3-methoxyphenyl)-6-phenyl-1H-pyridin-2-one
CID 100996434
5,6-dihydroxy-10-(4-hydroxy-3-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 71827308
2-(3,4-dihydroxyphenyl)chromen-7-one
CID 15517839
6-ethyl-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 28811781
(2R,3R)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-8-phenyl-2,3-dihydropyrano[2,3-h][1,4]benzodioxin-10-one
CID 5467201
5-hydroxy-6,7-dimethoxy-2-(4-phenylphenyl)chromen-4-one
CID 127039057
2-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxychromen-4-one
CID 14235163
4-(4-hydroxy-3-methoxyphenyl)-1-methylpyridin-2-one
CID 15429190
methyl 4-methoxy-2-oxo-6-phenylpyran-3-carboxylate
CID 14000298

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-6-phenylpyran-4-one?
The IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-6-phenylpyran-4-one (CID 10880922) is 2-(4-hydroxy-3-methoxyphenyl)-6-phenylpyran-4-one.
What is the SMILES notation for 2-(4-hydroxy-3-methoxyphenyl)-6-phenylpyran-4-one?
The canonical SMILES for 2-(4-hydroxy-3-methoxyphenyl)-6-phenylpyran-4-one is COc1cc(-c2cc(=O)cc(-c3ccccc3)o2)ccc1O.
What is the InChIKey of 2-(4-hydroxy-3-methoxyphenyl)-6-phenylpyran-4-one?
The InChIKey is BWPAECOCEJILPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4/c1-21-18-9-13(7-8-15(18)20)17-11-14(19)10-16(22-17)12-5-3-2-4-6-12/h2-11,20H,1H3.
What are the key properties of 2-(4-hydroxy-3-methoxyphenyl)-6-phenylpyran-4-one?
2-(4-hydroxy-3-methoxyphenyl)-6-phenylpyran-4-one has a molecular weight of 294.31 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methoxyphenyl)-6-phenylpyran-4-one is sourced from PubChem (CID 10880922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).