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

C10H10ClNO — CID 60644249

IUPAC2-(4-chloro-2-methylphenoxy)propanenitrile
SMILESCc1cc(Cl)ccc1OC(C)C#N
InChIInChI=1S/C10H10ClNO/c1-7-5-9(11)3-4-10(7)13-8(2)6-12/h3-5,8H,1-2H3
InChIKeyKLILTUAAJXVBJE-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.94
Rot. Bonds2

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

2-(4-chloro-2-methylphenoxy)propanenitrile (PubChem CID 60644249) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)propanenitrile.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)propanenitrile
PubChem CID60644249
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name2-(4-chloro-2-methylphenoxy)propanenitrile
SMILESCc1cc(Cl)ccc1OC(C)C#N
InChIInChI=1S/C10H10ClNO/c1-7-5-9(11)3-4-10(7)13-8(2)6-12/h3-5,8H,1-2H3
InChIKeyKLILTUAAJXVBJE-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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Related Compounds

CID 23675729
CID 23675729
CID 17089
CID 17089
CID 17603
CID 17603
CID 25286
CID 25286
CID 76748
CID 76748
CID 139062
CID 139062
CID 11507014
CID 11507014
CID 11673174
CID 11673174
CID 576922
CID 576922
CID 96024
CID 96024
CID 306444
CID 306444
CID 141055
CID 141055

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)propanenitrile?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)propanenitrile (CID 60644249) is 2-(4-chloro-2-methylphenoxy)propanenitrile.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)propanenitrile?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)propanenitrile is Cc1cc(Cl)ccc1OC(C)C#N.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)propanenitrile?
The InChIKey is KLILTUAAJXVBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO/c1-7-5-9(11)3-4-10(7)13-8(2)6-12/h3-5,8H,1-2H3.
What are the key properties of 2-(4-chloro-2-methylphenoxy)propanenitrile?
2-(4-chloro-2-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-(4-chloro-2-methylphenoxy)propanenitrile is sourced from PubChem (CID 60644249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).