(2S,4S)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyran

C13H16O2 — CID 11367712

IUPAC(2S,4S)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyran
SMILESCCO[C@@H]1C[C@H](c2ccccc2)C=CO1
InChIInChI=1S/C13H16O2/c1-2-14-13-10-12(8-9-15-13)11-6-4-3-5-7-11/h3-9,12-13H,2,10H2,1H3/t12-,13+/m1/s1
InChIKeyLGIHSBPLJHHAJF-OLZOCXBDSA-N
MW204.27 g/mol
LogP3.07
Rot. Bonds3

About (2S,4S)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyran

(2S,4S)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyran (PubChem CID 11367712) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2S,4S)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,4S)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyran
PubChem CID11367712
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(2S,4S)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyran
SMILESCCO[C@@H]1C[C@H](c2ccccc2)C=CO1
InChIInChI=1S/C13H16O2/c1-2-14-13-10-12(8-9-15-13)11-6-4-3-5-7-11/h3-9,12-13H,2,10H2,1H3/t12-,13+/m1/s1
InChIKeyLGIHSBPLJHHAJF-OLZOCXBDSA-N
XLogP3.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S,4S)-2-ethoxy-4-phenyl-3,4-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

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyran?
The IUPAC name of (2S,4S)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyran (CID 11367712) is (2S,4S)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for (2S,4S)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyran?
The canonical SMILES for (2S,4S)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyran is CCO[C@@H]1C[C@H](c2ccccc2)C=CO1.
What is the InChIKey of (2S,4S)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyran?
The InChIKey is LGIHSBPLJHHAJF-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H16O2/c1-2-14-13-10-12(8-9-15-13)11-6-4-3-5-7-11/h3-9,12-13H,2,10H2,1H3/t12-,13+/m1/s1.
What are the key properties of (2S,4S)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyran?
(2S,4S)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyran has a molecular weight of 204.27 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 11367712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).