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

C21H21NO3 — CID 23238127

IUPAC(2R,4R)-2-methoxy-4-(4-methoxyphenyl)-2-methyl-6-phenyl-3,4-dihydropyran-5-carbonitrile
SMILESCOc1ccc([C@H]2C[C@](C)(OC)OC(c3ccccc3)=C2C#N)cc1
InChIInChI=1S/C21H21NO3/c1-21(24-3)13-18(15-9-11-17(23-2)12-10-15)19(14-22)20(25-21)16-7-5-4-6-8-16/h4-12,18H,13H2,1-3H3/t18-,21-/m1/s1
InChIKeyWMVDOWKJPLXNIT-WIYYLYMNSA-N
MW335.40 g/mol
LogP4.50
Rot. Bonds4

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

(2R,4R)-2-methoxy-4-(4-methoxyphenyl)-2-methyl-6-phenyl-3,4-dihydropyran-5-carbonitrile (PubChem CID 23238127) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is (2R,4R)-2-methoxy-4-(4-methoxyphenyl)-2-methyl-6-phenyl-3,4-dihydropyran-5-carbonitrile.

Molecular Properties

Compound Name(2R,4R)-2-methoxy-4-(4-methoxyphenyl)-2-methyl-6-phenyl-3,4-dihydropyran-5-carbonitrile
PubChem CID23238127
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name(2R,4R)-2-methoxy-4-(4-methoxyphenyl)-2-methyl-6-phenyl-3,4-dihydropyran-5-carbonitrile
SMILESCOc1ccc([C@H]2C[C@](C)(OC)OC(c3ccccc3)=C2C#N)cc1
InChIInChI=1S/C21H21NO3/c1-21(24-3)13-18(15-9-11-17(23-2)12-10-15)19(14-22)20(25-21)16-7-5-4-6-8-16/h4-12,18H,13H2,1-3H3/t18-,21-/m1/s1
InChIKeyWMVDOWKJPLXNIT-WIYYLYMNSA-N
XLogP4.50
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4R)-2-methoxy-2-methyl-4,6-diphenyl-3,4-dihydropyran-5-carbonitrile
CID 15313510
(2S,4R)-2-methoxy-2-methyl-6-phenyl-4-pyridin-3-yl-3,4-dihydropyran-5-carbonitrile
CID 23238128
(4R)-5,5,6,6-tetramethoxy-4-(4-methoxyphenyl)-2-phenyl-4H-pyran-3-carbonitrile
CID 7285391
(2S,4S)-2-(4-methoxyphenyl)-6-phenyl-4-pyridin-4-yl-3,4-dihydro-2H-pyran-5-carbonitrile
CID 101117525
(2R,4S)-2-methoxy-2-methyl-4-phenyl-3,4-dihydrobenzo[g]chromene-5,10-dione
CID 13220457
(6S,8S)-6-methoxy-8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene
CID 6993164
cis-(1S,2S)-2-(4-methoxyphenyl)-1-phenylcyclopropane-1-carbonitrile
CID 135020770
(4S)-4-(4-methoxyphenyl)-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile
CID 915496
6-amino-4-(4-methoxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3125753
2-amino-4-(4-methoxyphenyl)-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile
CID 5242125
(2S,4R)-4-(4-nitrophenyl)-2,6-diphenyl-3,4-dihydro-2H-pyran-5-carbonitrile
CID 101117497
(4R)-2-amino-4-(2,5-dimethoxyphenyl)-6-phenyl-4H-pyran-3,5-dicarbonitrile
CID 1023306

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-methoxy-4-(4-methoxyphenyl)-2-methyl-6-phenyl-3,4-dihydropyran-5-carbonitrile?
The IUPAC name of (2R,4R)-2-methoxy-4-(4-methoxyphenyl)-2-methyl-6-phenyl-3,4-dihydropyran-5-carbonitrile (CID 23238127) is (2R,4R)-2-methoxy-4-(4-methoxyphenyl)-2-methyl-6-phenyl-3,4-dihydropyran-5-carbonitrile.
What is the SMILES notation for (2R,4R)-2-methoxy-4-(4-methoxyphenyl)-2-methyl-6-phenyl-3,4-dihydropyran-5-carbonitrile?
The canonical SMILES for (2R,4R)-2-methoxy-4-(4-methoxyphenyl)-2-methyl-6-phenyl-3,4-dihydropyran-5-carbonitrile is COc1ccc([C@H]2C[C@](C)(OC)OC(c3ccccc3)=C2C#N)cc1.
What is the InChIKey of (2R,4R)-2-methoxy-4-(4-methoxyphenyl)-2-methyl-6-phenyl-3,4-dihydropyran-5-carbonitrile?
The InChIKey is WMVDOWKJPLXNIT-WIYYLYMNSA-N. The full InChI is InChI=1S/C21H21NO3/c1-21(24-3)13-18(15-9-11-17(23-2)12-10-15)19(14-22)20(25-21)16-7-5-4-6-8-16/h4-12,18H,13H2,1-3H3/t18-,21-/m1/s1.
What are the key properties of (2R,4R)-2-methoxy-4-(4-methoxyphenyl)-2-methyl-6-phenyl-3,4-dihydropyran-5-carbonitrile?
(2R,4R)-2-methoxy-4-(4-methoxyphenyl)-2-methyl-6-phenyl-3,4-dihydropyran-5-carbonitrile has a molecular weight of 335.40 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-methoxy-4-(4-methoxyphenyl)-2-methyl-6-phenyl-3,4-dihydropyran-5-carbonitrile is sourced from PubChem (CID 23238127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).