2,4-dimethyl-2-phenyl-3,4-dihydropyran

C13H16O — CID 86735403

IUPAC2,4-dimethyl-2-phenyl-3,4-dihydropyran
SMILESCC1C=COC(C)(c2ccccc2)C1
InChIInChI=1S/C13H16O/c1-11-8-9-14-13(2,10-11)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
InChIKeyGRCBIAMZMNMOSO-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.47
Rot. Bonds1

About 2,4-dimethyl-2-phenyl-3,4-dihydropyran

2,4-dimethyl-2-phenyl-3,4-dihydropyran (PubChem CID 86735403) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 2,4-dimethyl-2-phenyl-3,4-dihydropyran.

Molecular Properties

Compound Name2,4-dimethyl-2-phenyl-3,4-dihydropyran
PubChem CID86735403
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name2,4-dimethyl-2-phenyl-3,4-dihydropyran
SMILESCC1C=COC(C)(c2ccccc2)C1
InChIInChI=1S/C13H16O/c1-11-8-9-14-13(2,10-11)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
InChIKeyGRCBIAMZMNMOSO-UHFFFAOYSA-N
XLogP3.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-methyl-2-phenyl-3,4-dihydropyran-4-ol
CID 100966337
(3S,5S)-3,5-dimethyl-5-phenyloxolan-2-one
CID 11745429
(2S)-2-methyl-2-phenyloxirane
CID 11629614
(2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane
CID 1203325
trans-(1R,3S)-2,2,3-trimethyl-3-phenylcyclobutan-1-ol
CID 175816739
(3R,5S)-3-methyl-3,5-diphenyldioxolane
CID 12643785
(1S,6R)-4-methyl-4-phenyl-3,7-dioxabicyclo[4.1.0]heptane
CID 10774046
2-methyl-2-phenyl-1,4-dioxane
CID 154111008
3-hydroxy-5-methyl-5-phenyloxolan-2-one
CID 12521154
2,3-dimethyl-3-phenylcyclobutan-1-ol
CID 175816648
2,3,5,6-tetramethyl-2,3-diphenyl-1,4-dioxane
CID 154019435
cis-(1R,2S)-2-methyl-2-phenylcyclopropan-1-ol
CID 121227035

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-phenyl-3,4-dihydropyran?
The IUPAC name of 2,4-dimethyl-2-phenyl-3,4-dihydropyran (CID 86735403) is 2,4-dimethyl-2-phenyl-3,4-dihydropyran.
What is the SMILES notation for 2,4-dimethyl-2-phenyl-3,4-dihydropyran?
The canonical SMILES for 2,4-dimethyl-2-phenyl-3,4-dihydropyran is CC1C=COC(C)(c2ccccc2)C1.
What is the InChIKey of 2,4-dimethyl-2-phenyl-3,4-dihydropyran?
The InChIKey is GRCBIAMZMNMOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-11-8-9-14-13(2,10-11)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3.
What are the key properties of 2,4-dimethyl-2-phenyl-3,4-dihydropyran?
2,4-dimethyl-2-phenyl-3,4-dihydropyran has a molecular weight of 188.27 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-phenyl-3,4-dihydropyran is sourced from PubChem (CID 86735403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).