4,5-dimethyl-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran

C15H20O2 — CID 154712027

IUPAC4,5-dimethyl-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
SMILESCC1=C(C)CC(COCc2ccccc2)OC1
InChIInChI=1S/C15H20O2/c1-12-8-15(17-9-13(12)2)11-16-10-14-6-4-3-5-7-14/h3-7,15H,8-11H2,1-2H3
InChIKeyHEHLZDBSPSASSG-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.33
Rot. Bonds4

About 4,5-dimethyl-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran

4,5-dimethyl-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran (PubChem CID 154712027) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4,5-dimethyl-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name4,5-dimethyl-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
PubChem CID154712027
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name4,5-dimethyl-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
SMILESCC1=C(C)CC(COCc2ccccc2)OC1
InChIInChI=1S/C15H20O2/c1-12-8-15(17-9-13(12)2)11-16-10-14-6-4-3-5-7-14/h3-7,15H,8-11H2,1-2H3
InChIKeyHEHLZDBSPSASSG-UHFFFAOYSA-N
XLogP3.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-(phenylmethoxymethyl)oxolan-3-one
CID 168857190
(2R)-2-(phenylmethoxymethoxymethyl)oxirane
CID 129387534
(2S)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
CID 46862703
oxolane;(2R)-2-(phenylmethoxymethyl)oxirane
CID 175076963
(2R)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
CID 130750045
(3S)-3-methyl-5-(phenylmethoxymethyl)-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole
CID 90220044
(3S,3aR,5R)-3-methyl-5-(phenylmethoxymethyl)-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole
CID 86701084
(2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine
CID 176754636
(6R)-6-(phenylmethoxymethyl)-3a,4,6,7-tetrahydro-3H-pyrano[4,3-c][1,2]oxazole
CID 143834731
(2R,4R)-4-bromo-2-(phenylmethoxymethyl)oxolane
CID 11086853
(2R,4R,5R)-5-ethyl-2-(phenylmethoxymethyl)oxan-4-ol
CID 24764148
(6S)-2-ethyl-6-(phenylmethoxymethyl)oxane
CID 139257658

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran?
The IUPAC name of 4,5-dimethyl-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran (CID 154712027) is 4,5-dimethyl-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for 4,5-dimethyl-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for 4,5-dimethyl-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran is CC1=C(C)CC(COCc2ccccc2)OC1.
What is the InChIKey of 4,5-dimethyl-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran?
The InChIKey is HEHLZDBSPSASSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-12-8-15(17-9-13(12)2)11-16-10-14-6-4-3-5-7-14/h3-7,15H,8-11H2,1-2H3.
What are the key properties of 4,5-dimethyl-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran?
4,5-dimethyl-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran has a molecular weight of 232.32 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 154712027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).