(2R)-2-(4-methoxyphenyl)-3-methyl-2-phenylbutanenitrile

C18H19NO — CID 134956914

IUPAC(2R)-2-(4-methoxyphenyl)-3-methyl-2-phenylbutanenitrile
SMILESCOc1ccc([C@](C#N)(c2ccccc2)C(C)C)cc1
InChIInChI=1S/C18H19NO/c1-14(2)18(13-19,15-7-5-4-6-8-15)16-9-11-17(20-3)12-10-16/h4-12,14H,1-3H3/t18-/m0/s1
InChIKeyUHQFZRZHWCNTLL-SFHVURJKSA-N
MW265.36 g/mol
LogP4.16
Rot. Bonds4

About (2R)-2-(4-methoxyphenyl)-3-methyl-2-phenylbutanenitrile

(2R)-2-(4-methoxyphenyl)-3-methyl-2-phenylbutanenitrile (PubChem CID 134956914) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (2R)-2-(4-methoxyphenyl)-3-methyl-2-phenylbutanenitrile.

Molecular Properties

Compound Name(2R)-2-(4-methoxyphenyl)-3-methyl-2-phenylbutanenitrile
PubChem CID134956914
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(2R)-2-(4-methoxyphenyl)-3-methyl-2-phenylbutanenitrile
SMILESCOc1ccc([C@](C#N)(c2ccccc2)C(C)C)cc1
InChIInChI=1S/C18H19NO/c1-14(2)18(13-19,15-7-5-4-6-8-15)16-9-11-17(20-3)12-10-16/h4-12,14H,1-3H3/t18-/m0/s1
InChIKeyUHQFZRZHWCNTLL-SFHVURJKSA-N
XLogP4.16
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R)-2-(4-methoxyphenyl)-3-methyl-2-phenylbutanenitrile 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

2-(4-methoxyphenyl)-2-phenylpropanenitrile
CID 175950796
methane;1-methoxy-4-[1-(4-methoxyphenyl)-2-methyl-1-phenylpropyl]benzene
CID 158331426
[bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane
CID 174814552
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
(4-methoxyphenyl)-diphenylmethanamine
CID 21477757
N-[bis(4-methoxyphenyl)-phenylmethyl]methanimine
CID 163625272
1-methoxy-4-[2-methyl-1-[4-(2-methyl-1,1,1-triphenylpropan-2-yl)phenyl]-1-phenylpropyl]benzene
CID 155021469
(1S)-1-(4-methoxyphenyl)-1-phenylethanamine
CID 93047943
2-amino-2-(4-methoxyphenyl)propanenitrile
CID 16787695
1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene
CID 175430407
1-hydroxy-1-(4-methoxyphenyl)-1-phenylpropan-2-one
CID 141100176
anisole;cyanic acid
CID 174663500

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methoxyphenyl)-3-methyl-2-phenylbutanenitrile?
The IUPAC name of (2R)-2-(4-methoxyphenyl)-3-methyl-2-phenylbutanenitrile (CID 134956914) is (2R)-2-(4-methoxyphenyl)-3-methyl-2-phenylbutanenitrile.
What is the SMILES notation for (2R)-2-(4-methoxyphenyl)-3-methyl-2-phenylbutanenitrile?
The canonical SMILES for (2R)-2-(4-methoxyphenyl)-3-methyl-2-phenylbutanenitrile is COc1ccc([C@](C#N)(c2ccccc2)C(C)C)cc1.
What is the InChIKey of (2R)-2-(4-methoxyphenyl)-3-methyl-2-phenylbutanenitrile?
The InChIKey is UHQFZRZHWCNTLL-SFHVURJKSA-N. The full InChI is InChI=1S/C18H19NO/c1-14(2)18(13-19,15-7-5-4-6-8-15)16-9-11-17(20-3)12-10-16/h4-12,14H,1-3H3/t18-/m0/s1.
What are the key properties of (2R)-2-(4-methoxyphenyl)-3-methyl-2-phenylbutanenitrile?
(2R)-2-(4-methoxyphenyl)-3-methyl-2-phenylbutanenitrile has a molecular weight of 265.36 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methoxyphenyl)-3-methyl-2-phenylbutanenitrile is sourced from PubChem (CID 134956914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).