(2S,3R)-3,5-dimethyl-2-phenyl-2,3-dihydropyran-6-one

C13H14O2 — CID 16725266

IUPAC(2S,3R)-3,5-dimethyl-2-phenyl-2,3-dihydropyran-6-one
SMILESCC1=C[C@@H](C)[C@@H](c2ccccc2)OC1=O
InChIInChI=1S/C13H14O2/c1-9-8-10(2)13(14)15-12(9)11-6-4-3-5-7-11/h3-9,12H,1-2H3/t9-,12+/m1/s1
InChIKeyRJWIJVNUCWRUMU-SKDRFNHKSA-N
MW202.25 g/mol
LogP2.87
Rot. Bonds1

About (2S,3R)-3,5-dimethyl-2-phenyl-2,3-dihydropyran-6-one

(2S,3R)-3,5-dimethyl-2-phenyl-2,3-dihydropyran-6-one (PubChem CID 16725266) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2S,3R)-3,5-dimethyl-2-phenyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2S,3R)-3,5-dimethyl-2-phenyl-2,3-dihydropyran-6-one
PubChem CID16725266
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name(2S,3R)-3,5-dimethyl-2-phenyl-2,3-dihydropyran-6-one
SMILESCC1=C[C@@H](C)[C@@H](c2ccccc2)OC1=O
InChIInChI=1S/C13H14O2/c1-9-8-10(2)13(14)15-12(9)11-6-4-3-5-7-11/h3-9,12H,1-2H3/t9-,12+/m1/s1
InChIKeyRJWIJVNUCWRUMU-SKDRFNHKSA-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 (2S,3R)-3,5-dimethyl-2-phenyl-2,3-dihydropyran-6-one?
The IUPAC name of (2S,3R)-3,5-dimethyl-2-phenyl-2,3-dihydropyran-6-one (CID 16725266) is (2S,3R)-3,5-dimethyl-2-phenyl-2,3-dihydropyran-6-one.
What is the SMILES notation for (2S,3R)-3,5-dimethyl-2-phenyl-2,3-dihydropyran-6-one?
The canonical SMILES for (2S,3R)-3,5-dimethyl-2-phenyl-2,3-dihydropyran-6-one is CC1=C[C@@H](C)[C@@H](c2ccccc2)OC1=O.
What is the InChIKey of (2S,3R)-3,5-dimethyl-2-phenyl-2,3-dihydropyran-6-one?
The InChIKey is RJWIJVNUCWRUMU-SKDRFNHKSA-N. The full InChI is InChI=1S/C13H14O2/c1-9-8-10(2)13(14)15-12(9)11-6-4-3-5-7-11/h3-9,12H,1-2H3/t9-,12+/m1/s1.
What are the key properties of (2S,3R)-3,5-dimethyl-2-phenyl-2,3-dihydropyran-6-one?
(2S,3R)-3,5-dimethyl-2-phenyl-2,3-dihydropyran-6-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 (2S,3R)-3,5-dimethyl-2-phenyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 16725266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).