4-hydroxy-3,3,5-trimethyl-2-phenyl-2H-pyran-6-one

C14H16O3 — CID 134890192

IUPAC4-hydroxy-3,3,5-trimethyl-2-phenyl-2H-pyran-6-one
SMILESCC1=C(O)C(C)(C)C(c2ccccc2)OC1=O
InChIInChI=1S/C14H16O3/c1-9-11(15)14(2,3)12(17-13(9)16)10-7-5-4-6-8-10/h4-8,12,15H,1-3H3
InChIKeySOACKARZMGQRHE-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.14
Rot. Bonds1

About 4-hydroxy-3,3,5-trimethyl-2-phenyl-2H-pyran-6-one

4-hydroxy-3,3,5-trimethyl-2-phenyl-2H-pyran-6-one (PubChem CID 134890192) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-hydroxy-3,3,5-trimethyl-2-phenyl-2H-pyran-6-one.

Molecular Properties

Compound Name4-hydroxy-3,3,5-trimethyl-2-phenyl-2H-pyran-6-one
PubChem CID134890192
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name4-hydroxy-3,3,5-trimethyl-2-phenyl-2H-pyran-6-one
SMILESCC1=C(O)C(C)(C)C(c2ccccc2)OC1=O
InChIInChI=1S/C14H16O3/c1-9-11(15)14(2,3)12(17-13(9)16)10-7-5-4-6-8-10/h4-8,12,15H,1-3H3
InChIKeySOACKARZMGQRHE-UHFFFAOYSA-N
XLogP3.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis[(2R)-3,3,5-trimethyl-6-oxo-2-phenyl-2H-pyran-4-yl] butanedioate
CID 1043800
4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxy-3,3,5-trimethyl-2-phenyl-2H-pyran-6-one
CID 2941803
(2R)-4-[(2S)-1-(4-bromophenyl)-1-oxopropan-2-yl]oxy-3,3,5-trimethyl-2-phenyl-2H-pyran-6-one
CID 1300921
4-methyl-5-oxo-2-phenyl-2H-furan-3-carboxylic acid
CID 141356262
[(2S)-5-ethyl-3,3-dimethyl-6-oxo-2-phenyl-2H-pyran-4-yl] benzoate
CID 1038866
(2R)-4-methyl-3-[(2R)-4-methyl-5-oxo-2-phenyl-2H-furan-3-yl]-2-phenyl-2H-furan-5-one
CID 102397882
[(2R)-2-(3,4-dimethoxyphenyl)-3,3,5-trimethyl-6-oxo-2H-pyran-4-yl] benzoate
CID 1044917
(2S,3S,4S)-2-hydroxy-2,5,5-trimethyl-3,4-diphenylcyclopentan-1-one
CID 102142694
(2R,3S)-2-methyl-3-phenyloxirane-2-carboxamide
CID 11240789
N-(3,3-difluoro-4-hydroxy-6-oxo-2-phenyl-2H-pyran-5-yl)benzamide
CID 177398161
3,3-dimethyl-2-phenyl-2H-pyran-4-one
CID 132511833
(3S,4R)-3-methoxy-3-methyl-4-phenyloxetan-2-one
CID 10058396

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,3,5-trimethyl-2-phenyl-2H-pyran-6-one?
The IUPAC name of 4-hydroxy-3,3,5-trimethyl-2-phenyl-2H-pyran-6-one (CID 134890192) is 4-hydroxy-3,3,5-trimethyl-2-phenyl-2H-pyran-6-one.
What is the SMILES notation for 4-hydroxy-3,3,5-trimethyl-2-phenyl-2H-pyran-6-one?
The canonical SMILES for 4-hydroxy-3,3,5-trimethyl-2-phenyl-2H-pyran-6-one is CC1=C(O)C(C)(C)C(c2ccccc2)OC1=O.
What is the InChIKey of 4-hydroxy-3,3,5-trimethyl-2-phenyl-2H-pyran-6-one?
The InChIKey is SOACKARZMGQRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-9-11(15)14(2,3)12(17-13(9)16)10-7-5-4-6-8-10/h4-8,12,15H,1-3H3.
What are the key properties of 4-hydroxy-3,3,5-trimethyl-2-phenyl-2H-pyran-6-one?
4-hydroxy-3,3,5-trimethyl-2-phenyl-2H-pyran-6-one has a molecular weight of 232.28 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,3,5-trimethyl-2-phenyl-2H-pyran-6-one is sourced from PubChem (CID 134890192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).