(2R,3R,6R)-2-ethyl-3,5-dimethyl-6-phenylmethoxy-3,6-dihydro-2H-pyran

C16H22O2 — CID 24805775

IUPAC(2R,3R,6R)-2-ethyl-3,5-dimethyl-6-phenylmethoxy-3,6-dihydro-2H-pyran
SMILESCC[C@H]1O[C@@H](OCc2ccccc2)C(C)=C[C@H]1C
InChIInChI=1S/C16H22O2/c1-4-15-12(2)10-13(3)16(18-15)17-11-14-8-6-5-7-9-14/h5-10,12,15-16H,4,11H2,1-3H3/t12-,15-,16-/m1/s1
InChIKeySTIKWJXCACDIAF-DAXOMENPSA-N
MW246.35 g/mol
LogP3.92
Rot. Bonds4

About (2R,3R,6R)-2-ethyl-3,5-dimethyl-6-phenylmethoxy-3,6-dihydro-2H-pyran

(2R,3R,6R)-2-ethyl-3,5-dimethyl-6-phenylmethoxy-3,6-dihydro-2H-pyran (PubChem CID 24805775) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is (2R,3R,6R)-2-ethyl-3,5-dimethyl-6-phenylmethoxy-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2R,3R,6R)-2-ethyl-3,5-dimethyl-6-phenylmethoxy-3,6-dihydro-2H-pyran
PubChem CID24805775
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name(2R,3R,6R)-2-ethyl-3,5-dimethyl-6-phenylmethoxy-3,6-dihydro-2H-pyran
SMILESCC[C@H]1O[C@@H](OCc2ccccc2)C(C)=C[C@H]1C
InChIInChI=1S/C16H22O2/c1-4-15-12(2)10-13(3)16(18-15)17-11-14-8-6-5-7-9-14/h5-10,12,15-16H,4,11H2,1-3H3/t12-,15-,16-/m1/s1
InChIKeySTIKWJXCACDIAF-DAXOMENPSA-N
XLogP3.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,3R,6R)-2-ethyl-3,5-dimethyl-6-phenylmethoxy-3,6-dihydro-2H-pyran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R,5R)-5-ethyl-3-methyl-4-phenylmethoxyoxolan-2-ol
CID 121322520
(2R,3R,5S)-2-ethyl-5-fluoro-4-methyl-3-phenylmethoxyoxolane
CID 122695335
5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-ol
CID 20743032
(3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol
CID 67471371
(2R,3S,4S)-2-ethyl-5-iodo-3-methyl-4-phenylmethoxy-3,4-dihydro-2H-pyran
CID 170420184
(3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane
CID 165104713
(2R,3R,4S,5R,6R)-2-chloro-6-ethyl-3,4,5-tris(phenylmethoxy)oxane
CID 58242550
(2R,3S,4S,5S,6S)-2-ethyl-3-methyl-6-(2-methylpropyl)-4,5-bis(phenylmethoxy)oxane
CID 118175463
(2R,3S,4S,5R,6S)-2-ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 102391808
(2S,4R,5R)-2,4-diethyl-5-phenylmethoxy-1,3-dioxane
CID 70592950
(2R,3S,4S,5S,6S)-2-ethyl-3-methyl-6-(2-methylprop-2-enyl)-4,5-bis(phenylmethoxy)oxane
CID 118175464
4-[(2S,3R,4R,5R)-5-ethyl-4-methyl-3-phenylmethoxyoxolan-2-yl]-2H-pyrrol-3-amine
CID 161244592

Frequently Asked Questions

What is the IUPAC name of (2R,3R,6R)-2-ethyl-3,5-dimethyl-6-phenylmethoxy-3,6-dihydro-2H-pyran?
The IUPAC name of (2R,3R,6R)-2-ethyl-3,5-dimethyl-6-phenylmethoxy-3,6-dihydro-2H-pyran (CID 24805775) is (2R,3R,6R)-2-ethyl-3,5-dimethyl-6-phenylmethoxy-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2R,3R,6R)-2-ethyl-3,5-dimethyl-6-phenylmethoxy-3,6-dihydro-2H-pyran?
The canonical SMILES for (2R,3R,6R)-2-ethyl-3,5-dimethyl-6-phenylmethoxy-3,6-dihydro-2H-pyran is CC[C@H]1O[C@@H](OCc2ccccc2)C(C)=C[C@H]1C.
What is the InChIKey of (2R,3R,6R)-2-ethyl-3,5-dimethyl-6-phenylmethoxy-3,6-dihydro-2H-pyran?
The InChIKey is STIKWJXCACDIAF-DAXOMENPSA-N. The full InChI is InChI=1S/C16H22O2/c1-4-15-12(2)10-13(3)16(18-15)17-11-14-8-6-5-7-9-14/h5-10,12,15-16H,4,11H2,1-3H3/t12-,15-,16-/m1/s1.
What are the key properties of (2R,3R,6R)-2-ethyl-3,5-dimethyl-6-phenylmethoxy-3,6-dihydro-2H-pyran?
(2R,3R,6R)-2-ethyl-3,5-dimethyl-6-phenylmethoxy-3,6-dihydro-2H-pyran has a molecular weight of 246.35 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6R)-2-ethyl-3,5-dimethyl-6-phenylmethoxy-3,6-dihydro-2H-pyran is sourced from PubChem (CID 24805775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).