2-(5-chloro-2-methoxyphenyl)-5-phenylpentanenitrile

C18H18ClNO — CID 82137909

IUPAC2-(5-chloro-2-methoxyphenyl)-5-phenylpentanenitrile
SMILESCOc1ccc(Cl)cc1C(C#N)CCCc1ccccc1
InChIInChI=1S/C18H18ClNO/c1-21-18-11-10-16(19)12-17(18)15(13-20)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-12,15H,5,8-9H2,1H3
InChIKeyXVSNYFXMQKPWIW-UHFFFAOYSA-N
MW299.80 g/mol
LogP4.98
Rot. Bonds6

About 2-(5-chloro-2-methoxyphenyl)-5-phenylpentanenitrile

2-(5-chloro-2-methoxyphenyl)-5-phenylpentanenitrile (PubChem CID 82137909) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-5-phenylpentanenitrile.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-5-phenylpentanenitrile
PubChem CID82137909
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC Name2-(5-chloro-2-methoxyphenyl)-5-phenylpentanenitrile
SMILESCOc1ccc(Cl)cc1C(C#N)CCCc1ccccc1
InChIInChI=1S/C18H18ClNO/c1-21-18-11-10-16(19)12-17(18)15(13-20)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-12,15H,5,8-9H2,1H3
InChIKeyXVSNYFXMQKPWIW-UHFFFAOYSA-N
XLogP4.98
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-5-phenylpentanenitrile
CID 82137198
2-(5-chloro-2-methoxyphenyl)-4-methylpentanenitrile
CID 82083990
2-(5-chloro-2-methoxyphenyl)-3-pyrrolidin-1-ylpropanenitrile
CID 82091614
1-(4-chloro-2-methoxyphenyl)-3-phenylpropan-1-ol
CID 114978934
5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-(2-methylphenyl)pentanenitrile
CID 4074809
2-(3-ethyl-4-methoxyphenyl)-4-phenylbutanenitrile
CID 82137906
(2S)-2-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)butanenitrile
CID 125465890
2-(5-chloro-2-methoxyphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanenitrile
CID 82140662
(3S)-3-amino-3-(5-chloro-2-methoxyphenyl)propanenitrile;hydrochloride
CID 171260205
1-(5-chloro-2-methylphenyl)-4-phenylbutan-1-amine
CID 115849493
2-(5-chloro-2-methoxyphenyl)-3-methylhexanenitrile
CID 107886167
5-(2-fluorophenoxy)-2-(2-methoxyphenyl)pentanenitrile
CID 82137676

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-5-phenylpentanenitrile?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-5-phenylpentanenitrile (CID 82137909) is 2-(5-chloro-2-methoxyphenyl)-5-phenylpentanenitrile.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-5-phenylpentanenitrile?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-5-phenylpentanenitrile is COc1ccc(Cl)cc1C(C#N)CCCc1ccccc1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-5-phenylpentanenitrile?
The InChIKey is XVSNYFXMQKPWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO/c1-21-18-11-10-16(19)12-17(18)15(13-20)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-12,15H,5,8-9H2,1H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-5-phenylpentanenitrile?
2-(5-chloro-2-methoxyphenyl)-5-phenylpentanenitrile has a molecular weight of 299.80 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-5-phenylpentanenitrile is sourced from PubChem (CID 82137909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).