3-chloro-4-(2-methylphenoxy)benzonitrile

C14H10ClNO — CID 11673174

IUPAC3-chloro-4-(2-methylphenoxy)benzonitrile
SMILESCc1ccccc1Oc1ccc(C#N)cc1Cl
InChIInChI=1S/C14H10ClNO/c1-10-4-2-3-5-13(10)17-14-7-6-11(9-16)8-12(14)15/h2-8H,1H3
InChIKeyLMZHFUQMQDTSFO-UHFFFAOYSA-N
MW243.69 g/mol
LogP4.31
Rot. Bonds2

About 3-chloro-4-(2-methylphenoxy)benzonitrile

3-chloro-4-(2-methylphenoxy)benzonitrile (PubChem CID 11673174) has the molecular formula C14H10ClNO and a molecular weight of 243.69 g/mol. Its IUPAC name is 3-chloro-4-(2-methylphenoxy)benzonitrile.

Molecular Properties

Compound Name3-chloro-4-(2-methylphenoxy)benzonitrile
PubChem CID11673174
Molecular FormulaC14H10ClNO
Molecular Weight243.69 g/mol
Exact Mass243.05
IUPAC Name3-chloro-4-(2-methylphenoxy)benzonitrile
SMILESCc1ccccc1Oc1ccc(C#N)cc1Cl
InChIInChI=1S/C14H10ClNO/c1-10-4-2-3-5-13(10)17-14-7-6-11(9-16)8-12(14)15/h2-8H,1H3
InChIKeyLMZHFUQMQDTSFO-UHFFFAOYSA-N
XLogP4.31
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-methylphenoxy)benzonitrile?
The IUPAC name of 3-chloro-4-(2-methylphenoxy)benzonitrile (CID 11673174) is 3-chloro-4-(2-methylphenoxy)benzonitrile.
What is the SMILES notation for 3-chloro-4-(2-methylphenoxy)benzonitrile?
The canonical SMILES for 3-chloro-4-(2-methylphenoxy)benzonitrile is Cc1ccccc1Oc1ccc(C#N)cc1Cl.
What is the InChIKey of 3-chloro-4-(2-methylphenoxy)benzonitrile?
The InChIKey is LMZHFUQMQDTSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO/c1-10-4-2-3-5-13(10)17-14-7-6-11(9-16)8-12(14)15/h2-8H,1H3.
What are the key properties of 3-chloro-4-(2-methylphenoxy)benzonitrile?
3-chloro-4-(2-methylphenoxy)benzonitrile has a molecular weight of 243.69 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-methylphenoxy)benzonitrile is sourced from PubChem (CID 11673174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).