(2R,3R)-3,5-dimethyl-2-phenyl-2,3-dihydropyran-4-one

C13H14O2 — CID 13081496

IUPAC(2R,3R)-3,5-dimethyl-2-phenyl-2,3-dihydropyran-4-one
SMILESCC1=CO[C@@H](c2ccccc2)[C@@H](C)C1=O
InChIInChI=1S/C13H14O2/c1-9-8-15-13(10(2)12(9)14)11-6-4-3-5-7-11/h3-8,10,13H,1-2H3/t10-,13+/m0/s1
InChIKeyFHQSXHVXYDHRPI-GXFFZTMASA-N
MW202.25 g/mol
LogP2.87
Rot. Bonds1

About (2R,3R)-3,5-dimethyl-2-phenyl-2,3-dihydropyran-4-one

(2R,3R)-3,5-dimethyl-2-phenyl-2,3-dihydropyran-4-one (PubChem CID 13081496) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2R,3R)-3,5-dimethyl-2-phenyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name(2R,3R)-3,5-dimethyl-2-phenyl-2,3-dihydropyran-4-one
PubChem CID13081496
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name(2R,3R)-3,5-dimethyl-2-phenyl-2,3-dihydropyran-4-one
SMILESCC1=CO[C@@H](c2ccccc2)[C@@H](C)C1=O
InChIInChI=1S/C13H14O2/c1-9-8-15-13(10(2)12(9)14)11-6-4-3-5-7-11/h3-8,10,13H,1-2H3/t10-,13+/m0/s1
InChIKeyFHQSXHVXYDHRPI-GXFFZTMASA-N
XLogP2.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3,5-dimethyl-2-phenyl-2,3-dihydropyran-4-one?
The IUPAC name of (2R,3R)-3,5-dimethyl-2-phenyl-2,3-dihydropyran-4-one (CID 13081496) is (2R,3R)-3,5-dimethyl-2-phenyl-2,3-dihydropyran-4-one.
What is the SMILES notation for (2R,3R)-3,5-dimethyl-2-phenyl-2,3-dihydropyran-4-one?
The canonical SMILES for (2R,3R)-3,5-dimethyl-2-phenyl-2,3-dihydropyran-4-one is CC1=CO[C@@H](c2ccccc2)[C@@H](C)C1=O.
What is the InChIKey of (2R,3R)-3,5-dimethyl-2-phenyl-2,3-dihydropyran-4-one?
The InChIKey is FHQSXHVXYDHRPI-GXFFZTMASA-N. The full InChI is InChI=1S/C13H14O2/c1-9-8-15-13(10(2)12(9)14)11-6-4-3-5-7-11/h3-8,10,13H,1-2H3/t10-,13+/m0/s1.
What are the key properties of (2R,3R)-3,5-dimethyl-2-phenyl-2,3-dihydropyran-4-one?
(2R,3R)-3,5-dimethyl-2-phenyl-2,3-dihydropyran-4-one has a molecular weight of 202.25 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3,5-dimethyl-2-phenyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 13081496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).