(2R)-2,3-bis(4-methoxyphenyl)-2-methylpropanenitrile

C18H19NO2 — CID 129389679

IUPAC(2R)-2,3-bis(4-methoxyphenyl)-2-methylpropanenitrile
SMILESCOc1ccc(C[C@@](C)(C#N)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H19NO2/c1-18(13-19,15-6-10-17(21-3)11-7-15)12-14-4-8-16(20-2)9-5-14/h4-11H,12H2,1-3H3/t18-/m0/s1
InChIKeyZNLSTQOVERFACG-SFHVURJKSA-N
MW281.36 g/mol
LogP3.73
Rot. Bonds5

About (2R)-2,3-bis(4-methoxyphenyl)-2-methylpropanenitrile

(2R)-2,3-bis(4-methoxyphenyl)-2-methylpropanenitrile (PubChem CID 129389679) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (2R)-2,3-bis(4-methoxyphenyl)-2-methylpropanenitrile.

Molecular Properties

Compound Name(2R)-2,3-bis(4-methoxyphenyl)-2-methylpropanenitrile
PubChem CID129389679
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(2R)-2,3-bis(4-methoxyphenyl)-2-methylpropanenitrile
SMILESCOc1ccc(C[C@@](C)(C#N)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H19NO2/c1-18(13-19,15-6-10-17(21-3)11-7-15)12-14-4-8-16(20-2)9-5-14/h4-11H,12H2,1-3H3/t18-/m0/s1
InChIKeyZNLSTQOVERFACG-SFHVURJKSA-N
XLogP3.73
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R)-2,3-bis(4-methoxyphenyl)-2-methylpropanenitrile 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

1-[1,3-bis(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]propan-2-yl]-4-methoxybenzene
CID 71248389
2-amino-3-(4-methoxyphenyl)-2-methylpropanenitrile
CID 14989929
3-hydroxy-4-(4-methoxyphenyl)-2,2,3-trimethylbutanenitrile
CID 79129241
1,2-bis(4-methoxyphenyl)propan-2-amine
CID 63273092
2-cyano-3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 82127435
2-amino-2-(4-methoxyphenyl)propanenitrile
CID 16787695
3-(4-methoxyphenyl)-2-methyl-2-(prop-2-enylamino)propanenitrile
CID 55167183
2-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-ol
CID 60798775
2-(4-methoxyphenyl)-2-phenylpropanenitrile
CID 175950796
2,2-difluoro-3-(4-methoxyphenyl)propanal
CID 54572596
1-(4-methoxyphenyl)-2,3-dimethylbut-3-en-2-ol
CID 79189896
3-(4-methoxyphenyl)-2-methyl-2-(2-methylanilino)propanenitrile
CID 63273437

Frequently Asked Questions

What is the IUPAC name of (2R)-2,3-bis(4-methoxyphenyl)-2-methylpropanenitrile?
The IUPAC name of (2R)-2,3-bis(4-methoxyphenyl)-2-methylpropanenitrile (CID 129389679) is (2R)-2,3-bis(4-methoxyphenyl)-2-methylpropanenitrile.
What is the SMILES notation for (2R)-2,3-bis(4-methoxyphenyl)-2-methylpropanenitrile?
The canonical SMILES for (2R)-2,3-bis(4-methoxyphenyl)-2-methylpropanenitrile is COc1ccc(C[C@@](C)(C#N)c2ccc(OC)cc2)cc1.
What is the InChIKey of (2R)-2,3-bis(4-methoxyphenyl)-2-methylpropanenitrile?
The InChIKey is ZNLSTQOVERFACG-SFHVURJKSA-N. The full InChI is InChI=1S/C18H19NO2/c1-18(13-19,15-6-10-17(21-3)11-7-15)12-14-4-8-16(20-2)9-5-14/h4-11H,12H2,1-3H3/t18-/m0/s1.
What are the key properties of (2R)-2,3-bis(4-methoxyphenyl)-2-methylpropanenitrile?
(2R)-2,3-bis(4-methoxyphenyl)-2-methylpropanenitrile has a molecular weight of 281.36 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3-bis(4-methoxyphenyl)-2-methylpropanenitrile is sourced from PubChem (CID 129389679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).