2-(2-chloro-4-methylphenoxy)propanenitrile

C10H10ClNO — CID 62669340

IUPAC2-(2-chloro-4-methylphenoxy)propanenitrile
SMILESCc1ccc(OC(C)C#N)c(Cl)c1
InChIInChI=1S/C10H10ClNO/c1-7-3-4-10(9(11)5-7)13-8(2)6-12/h3-5,8H,1-2H3
InChIKeyASEWTRRYTQQPLY-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.94
Rot. Bonds2

About 2-(2-chloro-4-methylphenoxy)propanenitrile

2-(2-chloro-4-methylphenoxy)propanenitrile (PubChem CID 62669340) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenoxy)propanenitrile.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenoxy)propanenitrile
PubChem CID62669340
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name2-(2-chloro-4-methylphenoxy)propanenitrile
SMILESCc1ccc(OC(C)C#N)c(Cl)c1
InChIInChI=1S/C10H10ClNO/c1-7-3-4-10(9(11)5-7)13-8(2)6-12/h3-5,8H,1-2H3
InChIKeyASEWTRRYTQQPLY-UHFFFAOYSA-N
XLogP2.94
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenoxy)propanenitrile?
The IUPAC name of 2-(2-chloro-4-methylphenoxy)propanenitrile (CID 62669340) is 2-(2-chloro-4-methylphenoxy)propanenitrile.
What is the SMILES notation for 2-(2-chloro-4-methylphenoxy)propanenitrile?
The canonical SMILES for 2-(2-chloro-4-methylphenoxy)propanenitrile is Cc1ccc(OC(C)C#N)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenoxy)propanenitrile?
The InChIKey is ASEWTRRYTQQPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO/c1-7-3-4-10(9(11)5-7)13-8(2)6-12/h3-5,8H,1-2H3.
What are the key properties of 2-(2-chloro-4-methylphenoxy)propanenitrile?
2-(2-chloro-4-methylphenoxy)propanenitrile has a molecular weight of 195.65 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenoxy)propanenitrile is sourced from PubChem (CID 62669340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).