4-hydroxy-6-methyl-3-[(4-phenylphenyl)methyl]pyran-2-one

C19H16O3 — CID 151649957

IUPAC4-hydroxy-6-methyl-3-[(4-phenylphenyl)methyl]pyran-2-one
SMILESCc1cc(O)c(Cc2ccc(-c3ccccc3)cc2)c(=O)o1
InChIInChI=1S/C19H16O3/c1-13-11-18(20)17(19(21)22-13)12-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-11,20H,12H2,1H3
InChIKeyQUHQWDWKWVVGLZ-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.91
Rot. Bonds3

About 4-hydroxy-6-methyl-3-[(4-phenylphenyl)methyl]pyran-2-one

4-hydroxy-6-methyl-3-[(4-phenylphenyl)methyl]pyran-2-one (PubChem CID 151649957) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-hydroxy-6-methyl-3-[(4-phenylphenyl)methyl]pyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-methyl-3-[(4-phenylphenyl)methyl]pyran-2-one
PubChem CID151649957
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Name4-hydroxy-6-methyl-3-[(4-phenylphenyl)methyl]pyran-2-one
SMILESCc1cc(O)c(Cc2ccc(-c3ccccc3)cc2)c(=O)o1
InChIInChI=1S/C19H16O3/c1-13-11-18(20)17(19(21)22-13)12-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-11,20H,12H2,1H3
InChIKeyQUHQWDWKWVVGLZ-UHFFFAOYSA-N
XLogP3.91
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-3-[(4-methylphenyl)methyl]chromen-2-one
CID 76852674
3-hydroxy-6-methyl-2-[(4-phenylphenyl)methoxymethyl]pyran-4-one
CID 44591824
4-hydroxy-3-[[3-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)methyl]-2-sulfanylidenebenzimidazol-1-yl]methyl]-6-methylpyran-2-one
CID 54703041
3-benzylsulfinyl-4-hydroxy-6-methylpyran-2-one
CID 54737320
3-decyl-4-hydroxy-6-methylpyran-2-one
CID 86101794
3-benzyl-4-hydroxychromen-2-one;ethane
CID 91487265
3-benzyl-7,8-dihydroxy-4-methylchromen-2-one
CID 5428528
4-[(4-methylphenyl)methyl]-3-phenyl-2H-1,2-oxazol-5-one
CID 13199481
4-hydroxy-3-[[4-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)sulfanylmethyl]phenyl]methylsulfanyl]-6-methylpyran-2-one
CID 54736792
3-[2-(4-bromophenyl)-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)propyl]-4-hydroxy-6-methylpyran-2-one
CID 54713361
4-hydroxy-6-methyl-3-[(4-methylphenyl)methylsulfinyl]pyran-2-one
CID 54732516
4-hydroxy-6-methyl-3-(1-phenylethyl)pyran-2-one
CID 54720674

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methyl-3-[(4-phenylphenyl)methyl]pyran-2-one?
The IUPAC name of 4-hydroxy-6-methyl-3-[(4-phenylphenyl)methyl]pyran-2-one (CID 151649957) is 4-hydroxy-6-methyl-3-[(4-phenylphenyl)methyl]pyran-2-one.
What is the SMILES notation for 4-hydroxy-6-methyl-3-[(4-phenylphenyl)methyl]pyran-2-one?
The canonical SMILES for 4-hydroxy-6-methyl-3-[(4-phenylphenyl)methyl]pyran-2-one is Cc1cc(O)c(Cc2ccc(-c3ccccc3)cc2)c(=O)o1.
What is the InChIKey of 4-hydroxy-6-methyl-3-[(4-phenylphenyl)methyl]pyran-2-one?
The InChIKey is QUHQWDWKWVVGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3/c1-13-11-18(20)17(19(21)22-13)12-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-11,20H,12H2,1H3.
What are the key properties of 4-hydroxy-6-methyl-3-[(4-phenylphenyl)methyl]pyran-2-one?
4-hydroxy-6-methyl-3-[(4-phenylphenyl)methyl]pyran-2-one has a molecular weight of 292.33 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methyl-3-[(4-phenylphenyl)methyl]pyran-2-one is sourced from PubChem (CID 151649957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).