(2R,4R)-2-methoxy-2-methyl-4,6-diphenyl-3,4-dihydropyran-5-carbonitrile

C20H19NO2 — CID 15313510

IUPAC(2R,4R)-2-methoxy-2-methyl-4,6-diphenyl-3,4-dihydropyran-5-carbonitrile
SMILESCO[C@@]1(C)C[C@H](c2ccccc2)C(C#N)=C(c2ccccc2)O1
InChIInChI=1S/C20H19NO2/c1-20(22-2)13-17(15-9-5-3-6-10-15)18(14-21)19(23-20)16-11-7-4-8-12-16/h3-12,17H,13H2,1-2H3/t17-,20-/m1/s1
InChIKeyGOJQGEJYHXAHAC-YLJYHZDGSA-N
MW305.38 g/mol
LogP4.49
Rot. Bonds3

About (2R,4R)-2-methoxy-2-methyl-4,6-diphenyl-3,4-dihydropyran-5-carbonitrile

(2R,4R)-2-methoxy-2-methyl-4,6-diphenyl-3,4-dihydropyran-5-carbonitrile (PubChem CID 15313510) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2R,4R)-2-methoxy-2-methyl-4,6-diphenyl-3,4-dihydropyran-5-carbonitrile.

Molecular Properties

Compound Name(2R,4R)-2-methoxy-2-methyl-4,6-diphenyl-3,4-dihydropyran-5-carbonitrile
PubChem CID15313510
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name(2R,4R)-2-methoxy-2-methyl-4,6-diphenyl-3,4-dihydropyran-5-carbonitrile
SMILESCO[C@@]1(C)C[C@H](c2ccccc2)C(C#N)=C(c2ccccc2)O1
InChIInChI=1S/C20H19NO2/c1-20(22-2)13-17(15-9-5-3-6-10-15)18(14-21)19(23-20)16-11-7-4-8-12-16/h3-12,17H,13H2,1-2H3/t17-,20-/m1/s1
InChIKeyGOJQGEJYHXAHAC-YLJYHZDGSA-N
XLogP4.49
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-methoxy-2-methyl-4,6-diphenyl-3,4-dihydropyran-5-carbonitrile?
The IUPAC name of (2R,4R)-2-methoxy-2-methyl-4,6-diphenyl-3,4-dihydropyran-5-carbonitrile (CID 15313510) is (2R,4R)-2-methoxy-2-methyl-4,6-diphenyl-3,4-dihydropyran-5-carbonitrile.
What is the SMILES notation for (2R,4R)-2-methoxy-2-methyl-4,6-diphenyl-3,4-dihydropyran-5-carbonitrile?
The canonical SMILES for (2R,4R)-2-methoxy-2-methyl-4,6-diphenyl-3,4-dihydropyran-5-carbonitrile is CO[C@@]1(C)C[C@H](c2ccccc2)C(C#N)=C(c2ccccc2)O1.
What is the InChIKey of (2R,4R)-2-methoxy-2-methyl-4,6-diphenyl-3,4-dihydropyran-5-carbonitrile?
The InChIKey is GOJQGEJYHXAHAC-YLJYHZDGSA-N. The full InChI is InChI=1S/C20H19NO2/c1-20(22-2)13-17(15-9-5-3-6-10-15)18(14-21)19(23-20)16-11-7-4-8-12-16/h3-12,17H,13H2,1-2H3/t17-,20-/m1/s1.
What are the key properties of (2R,4R)-2-methoxy-2-methyl-4,6-diphenyl-3,4-dihydropyran-5-carbonitrile?
(2R,4R)-2-methoxy-2-methyl-4,6-diphenyl-3,4-dihydropyran-5-carbonitrile has a molecular weight of 305.38 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-methoxy-2-methyl-4,6-diphenyl-3,4-dihydropyran-5-carbonitrile is sourced from PubChem (CID 15313510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).