(2S)-4-methoxy-2-(2-methylphenyl)-2,3-dihydropyran-6-one

C13H14O3 — CID 135055167

IUPAC(2S)-4-methoxy-2-(2-methylphenyl)-2,3-dihydropyran-6-one
SMILESCOC1=CC(=O)O[C@H](c2ccccc2C)C1
InChIInChI=1S/C13H14O3/c1-9-5-3-4-6-11(9)12-7-10(15-2)8-13(14)16-12/h3-6,8,12H,7H2,1-2H3/t12-/m0/s1
InChIKeyTWKZAYZTTASNAF-LBPRGKRZSA-N
MW218.25 g/mol
LogP2.51
Rot. Bonds2

About (2S)-4-methoxy-2-(2-methylphenyl)-2,3-dihydropyran-6-one

(2S)-4-methoxy-2-(2-methylphenyl)-2,3-dihydropyran-6-one (PubChem CID 135055167) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is (2S)-4-methoxy-2-(2-methylphenyl)-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2S)-4-methoxy-2-(2-methylphenyl)-2,3-dihydropyran-6-one
PubChem CID135055167
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name(2S)-4-methoxy-2-(2-methylphenyl)-2,3-dihydropyran-6-one
SMILESCOC1=CC(=O)O[C@H](c2ccccc2C)C1
InChIInChI=1S/C13H14O3/c1-9-5-3-4-6-11(9)12-7-10(15-2)8-13(14)16-12/h3-6,8,12H,7H2,1-2H3/t12-/m0/s1
InChIKeyTWKZAYZTTASNAF-LBPRGKRZSA-N
XLogP2.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methoxy-2-(2-methylphenyl)-2,3-dihydropyran-6-one?
The IUPAC name of (2S)-4-methoxy-2-(2-methylphenyl)-2,3-dihydropyran-6-one (CID 135055167) is (2S)-4-methoxy-2-(2-methylphenyl)-2,3-dihydropyran-6-one.
What is the SMILES notation for (2S)-4-methoxy-2-(2-methylphenyl)-2,3-dihydropyran-6-one?
The canonical SMILES for (2S)-4-methoxy-2-(2-methylphenyl)-2,3-dihydropyran-6-one is COC1=CC(=O)O[C@H](c2ccccc2C)C1.
What is the InChIKey of (2S)-4-methoxy-2-(2-methylphenyl)-2,3-dihydropyran-6-one?
The InChIKey is TWKZAYZTTASNAF-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H14O3/c1-9-5-3-4-6-11(9)12-7-10(15-2)8-13(14)16-12/h3-6,8,12H,7H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-4-methoxy-2-(2-methylphenyl)-2,3-dihydropyran-6-one?
(2S)-4-methoxy-2-(2-methylphenyl)-2,3-dihydropyran-6-one has a molecular weight of 218.25 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methoxy-2-(2-methylphenyl)-2,3-dihydropyran-6-one is sourced from PubChem (CID 135055167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).