2-(2-benzyl-4,6-dihydroxyphenyl)-6-methylpyran-4-one

C19H16O4 — CID 102423081

IUPAC2-(2-benzyl-4,6-dihydroxyphenyl)-6-methylpyran-4-one
SMILESCc1cc(=O)cc(-c2c(O)cc(O)cc2Cc2ccccc2)o1
InChIInChI=1S/C19H16O4/c1-12-7-15(20)11-18(23-12)19-14(9-16(21)10-17(19)22)8-13-5-3-2-4-6-13/h2-7,9-11,21-22H,8H2,1H3
InChIKeyHRXVSDFEGWNTIH-UHFFFAOYSA-N
MW308.33 g/mol
LogP3.62
Rot. Bonds3

About 2-(2-benzyl-4,6-dihydroxyphenyl)-6-methylpyran-4-one

2-(2-benzyl-4,6-dihydroxyphenyl)-6-methylpyran-4-one (PubChem CID 102423081) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-(2-benzyl-4,6-dihydroxyphenyl)-6-methylpyran-4-one.

Molecular Properties

Compound Name2-(2-benzyl-4,6-dihydroxyphenyl)-6-methylpyran-4-one
PubChem CID102423081
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Name2-(2-benzyl-4,6-dihydroxyphenyl)-6-methylpyran-4-one
SMILESCc1cc(=O)cc(-c2c(O)cc(O)cc2Cc2ccccc2)o1
InChIInChI=1S/C19H16O4/c1-12-7-15(20)11-18(23-12)19-14(9-16(21)10-17(19)22)8-13-5-3-2-4-6-13/h2-7,9-11,21-22H,8H2,1H3
InChIKeyHRXVSDFEGWNTIH-UHFFFAOYSA-N
XLogP3.62
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-benzyl-4,5-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
CID 127044661
4-benzyl-5-methylbenzene-1,2-diol
CID 146645349
3-[5-[2,4-dihydroxy-6-(phenylmethoxymethyl)phenyl]furan-2-yl]propanoic acid
CID 91246262
4-hydroxy-6-methyl-3-[(4-phenylphenyl)methyl]pyran-2-one
CID 151649957
2-benzylphenol;ethane
CID 91068983
5-benzyl-3,4-dimethylbenzene-1,2-diol
CID 163756803
5-benzyl-2,7-dihydroxy-2-[(4-hydroxy-6-oxopyran-2-yl)methyl]-3H-chromen-4-one
CID 102423082
1,4-dibenzyl-2,5-dimethylbenzene
CID 22920047
3-benzylsulfinyl-4-hydroxy-6-methylpyran-2-one
CID 54737320
4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-(4-phenylmethoxyphenyl)methyl]-6-methylpyran-2-one
CID 122372555
2-(2,2-difluoro-1-phenylethenyl)-6-methylpyran-4-one
CID 102447033
4-benzyl-3,5-bis(2-methylpropyl)phenol
CID 21430786

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-4,6-dihydroxyphenyl)-6-methylpyran-4-one?
The IUPAC name of 2-(2-benzyl-4,6-dihydroxyphenyl)-6-methylpyran-4-one (CID 102423081) is 2-(2-benzyl-4,6-dihydroxyphenyl)-6-methylpyran-4-one.
What is the SMILES notation for 2-(2-benzyl-4,6-dihydroxyphenyl)-6-methylpyran-4-one?
The canonical SMILES for 2-(2-benzyl-4,6-dihydroxyphenyl)-6-methylpyran-4-one is Cc1cc(=O)cc(-c2c(O)cc(O)cc2Cc2ccccc2)o1.
What is the InChIKey of 2-(2-benzyl-4,6-dihydroxyphenyl)-6-methylpyran-4-one?
The InChIKey is HRXVSDFEGWNTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4/c1-12-7-15(20)11-18(23-12)19-14(9-16(21)10-17(19)22)8-13-5-3-2-4-6-13/h2-7,9-11,21-22H,8H2,1H3.
What are the key properties of 2-(2-benzyl-4,6-dihydroxyphenyl)-6-methylpyran-4-one?
2-(2-benzyl-4,6-dihydroxyphenyl)-6-methylpyran-4-one has a molecular weight of 308.33 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-4,6-dihydroxyphenyl)-6-methylpyran-4-one is sourced from PubChem (CID 102423081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).