2-(4-methoxyphenyl)-2,2-diphenylacetonitrile

C21H17NO — CID 118303869

IUPAC2-(4-methoxyphenyl)-2,2-diphenylacetonitrile
SMILESCOc1ccc(C(C#N)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H17NO/c1-23-20-14-12-19(13-15-20)21(16-22,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3
InChIKeyDHPFUKFNHULRNC-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.55
Rot. Bonds4

About 2-(4-methoxyphenyl)-2,2-diphenylacetonitrile

2-(4-methoxyphenyl)-2,2-diphenylacetonitrile (PubChem CID 118303869) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2,2-diphenylacetonitrile.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2,2-diphenylacetonitrile
PubChem CID118303869
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC Name2-(4-methoxyphenyl)-2,2-diphenylacetonitrile
SMILESCOc1ccc(C(C#N)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H17NO/c1-23-20-14-12-19(13-15-20)21(16-22,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3
InChIKeyDHPFUKFNHULRNC-UHFFFAOYSA-N
XLogP4.55
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

Etofenprox
CID 71245
4-Methoxybiphenyl
CID 11943
1,3-Bis(4-cyanophenyl)propane
CID 70872
Benzeneacetonitrile, 4-methoxy-
CID 66031
4'-(Pentyloxy)(1,1'-biphenyl)-4-carbonitrile
CID 104171
(1,1'-Biphenyl)-4-carbonitrile, 4'-(heptyloxy)-
CID 104172
(1,1'-Biphenyl)-4-carbonitrile, 4'-propoxy-
CID 104291
(1,1'-Biphenyl)-4-carbonitrile, 4'-butoxy-
CID 104292
1,1'-Biphenyl, 4,4'-dimethoxy-
CID 16484
1,1'-(Phenylmethylene)bis(4-methoxybenzene)
CID 82012
4,4'-Ethylidenediphenyl dicyanate
CID 93247
[1,1'-Biphenyl]-4-carbonitrile, 4'-methoxy-
CID 93892

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2,2-diphenylacetonitrile?
The IUPAC name of 2-(4-methoxyphenyl)-2,2-diphenylacetonitrile (CID 118303869) is 2-(4-methoxyphenyl)-2,2-diphenylacetonitrile.
What is the SMILES notation for 2-(4-methoxyphenyl)-2,2-diphenylacetonitrile?
The canonical SMILES for 2-(4-methoxyphenyl)-2,2-diphenylacetonitrile is COc1ccc(C(C#N)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2,2-diphenylacetonitrile?
The InChIKey is DHPFUKFNHULRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO/c1-23-20-14-12-19(13-15-20)21(16-22,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-2,2-diphenylacetonitrile?
2-(4-methoxyphenyl)-2,2-diphenylacetonitrile has a molecular weight of 299.37 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2,2-diphenylacetonitrile is sourced from PubChem (CID 118303869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).