4-hydroxy-6-methyl-3-(1-phenylethyl)pyran-2-one

C14H14O3 — CID 54720674

IUPAC4-hydroxy-6-methyl-3-(1-phenylethyl)pyran-2-one
SMILESCc1cc(O)c(C(C)c2ccccc2)c(=O)o1
InChIInChI=1S/C14H14O3/c1-9-8-12(15)13(14(16)17-9)10(2)11-6-4-3-5-7-11/h3-8,10,15H,1-2H3
InChIKeyQNZIJUUZSGLZAO-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.81
Rot. Bonds2

About 4-hydroxy-6-methyl-3-(1-phenylethyl)pyran-2-one

4-hydroxy-6-methyl-3-(1-phenylethyl)pyran-2-one (PubChem CID 54720674) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-hydroxy-6-methyl-3-(1-phenylethyl)pyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-methyl-3-(1-phenylethyl)pyran-2-one
PubChem CID54720674
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name4-hydroxy-6-methyl-3-(1-phenylethyl)pyran-2-one
SMILESCc1cc(O)c(C(C)c2ccccc2)c(=O)o1
InChIInChI=1S/C14H14O3/c1-9-8-12(15)13(14(16)17-9)10(2)11-6-4-3-5-7-11/h3-8,10,15H,1-2H3
InChIKeyQNZIJUUZSGLZAO-UHFFFAOYSA-N
XLogP2.81
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-(3-hydroxyphenyl)methyl]-6-methylpyran-2-one
CID 54677203
4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-(4-phenylmethoxyphenyl)methyl]-6-methylpyran-2-one
CID 122372555
4-hydroxy-6-methyl-3-[(1R)-3-(1-oxidopyridin-1-ium-2-yl)-3-oxo-1-phenylpropyl]pyran-2-one
CID 71506167
4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-thiophen-2-ylmethyl]-6-methylpyran-2-one
CID 54708571
4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-thiophen-3-ylmethyl]-6-methylpyran-2-one
CID 139080571
3-benzylsulfinyl-4-hydroxy-6-methylpyran-2-one
CID 54737320
4-hydroxy-6-(1-phenylethyl)pyran-2-one
CID 54690177
4-hydroxy-3-[1-(4-methoxyphenyl)-2-nitroethyl]-6-methylpyran-2-one
CID 54682627
5-hydroxy-2-(1-phenylethyl)chromen-4-one
CID 175503361
6-hydroxy-4,5-dimethyl-3-(1-phenylethyl)-1H-pyridin-2-one
CID 20541693
3-[(3,5-ditert-butyl-4-hydroxyphenyl)-(4-hydroxyphenyl)methyl]-4-hydroxy-6-methylpyran-2-one
CID 54704968
1,2,3,4,5-pentamethyl-6-(1-phenylethyl)benzene
CID 54426646

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methyl-3-(1-phenylethyl)pyran-2-one?
The IUPAC name of 4-hydroxy-6-methyl-3-(1-phenylethyl)pyran-2-one (CID 54720674) is 4-hydroxy-6-methyl-3-(1-phenylethyl)pyran-2-one.
What is the SMILES notation for 4-hydroxy-6-methyl-3-(1-phenylethyl)pyran-2-one?
The canonical SMILES for 4-hydroxy-6-methyl-3-(1-phenylethyl)pyran-2-one is Cc1cc(O)c(C(C)c2ccccc2)c(=O)o1.
What is the InChIKey of 4-hydroxy-6-methyl-3-(1-phenylethyl)pyran-2-one?
The InChIKey is QNZIJUUZSGLZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-9-8-12(15)13(14(16)17-9)10(2)11-6-4-3-5-7-11/h3-8,10,15H,1-2H3.
What are the key properties of 4-hydroxy-6-methyl-3-(1-phenylethyl)pyran-2-one?
4-hydroxy-6-methyl-3-(1-phenylethyl)pyran-2-one has a molecular weight of 230.26 g/mol, XLogP of 2.81, 2 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-(1-phenylethyl)pyran-2-one is sourced from PubChem (CID 54720674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).