4-(2-chlorophenoxy)-3-methylbenzonitrile

C14H10ClNO — CID 54934374

IUPAC4-(2-chlorophenoxy)-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1Oc1ccccc1Cl
InChIInChI=1S/C14H10ClNO/c1-10-8-11(9-16)6-7-13(10)17-14-5-3-2-4-12(14)15/h2-8H,1H3
InChIKeyQIROMVXXCCNYST-UHFFFAOYSA-N
MW243.69 g/mol
LogP4.31
Rot. Bonds2

About 4-(2-chlorophenoxy)-3-methylbenzonitrile

4-(2-chlorophenoxy)-3-methylbenzonitrile (PubChem CID 54934374) has the molecular formula C14H10ClNO and a molecular weight of 243.69 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-3-methylbenzonitrile.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-3-methylbenzonitrile
PubChem CID54934374
Molecular FormulaC14H10ClNO
Molecular Weight243.69 g/mol
Exact Mass243.05
IUPAC Name4-(2-chlorophenoxy)-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1Oc1ccccc1Cl
InChIInChI=1S/C14H10ClNO/c1-10-8-11(9-16)6-7-13(10)17-14-5-3-2-4-12(14)15/h2-8H,1H3
InChIKeyQIROMVXXCCNYST-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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Related Compounds

4-(2-fluorophenoxy)-3-methylbenzonitrile
CID 54934331
4-(2-iodophenoxy)-3-methylbenzonitrile
CID 55219826
4-(2-ethylphenoxy)-3-methylbenzonitrile
CID 63513090
3-chloro-4-(2,4-dimethylphenoxy)benzonitrile;3-chloro-4-(2-methoxy-5-methylphenoxy)benzonitrile
CID 69464154
3-(2-chlorophenoxy)benzonitrile
CID 22148146
4-(2-amino-4-fluorophenoxy)-3-methylbenzonitrile
CID 62368179
2-(4-chloro-2-methylphenoxy)benzonitrile
CID 29271397
4-(2-amino-4-methylphenoxy)-3-methylbenzonitrile
CID 61313612
3-chloro-4-(2,5-dichlorophenoxy)benzonitrile
CID 55223268
4-(2,4-dimethylphenoxy)-3-hydroxybenzonitrile
CID 143183176
3-chloro-4-(2-nitrophenoxy)benzonitrile
CID 11708872
4-[2-(2-chlorophenoxy)ethoxy]-3-ethoxybenzonitrile
CID 2985466

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-3-methylbenzonitrile?
The IUPAC name of 4-(2-chlorophenoxy)-3-methylbenzonitrile (CID 54934374) is 4-(2-chlorophenoxy)-3-methylbenzonitrile.
What is the SMILES notation for 4-(2-chlorophenoxy)-3-methylbenzonitrile?
The canonical SMILES for 4-(2-chlorophenoxy)-3-methylbenzonitrile is Cc1cc(C#N)ccc1Oc1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenoxy)-3-methylbenzonitrile?
The InChIKey is QIROMVXXCCNYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO/c1-10-8-11(9-16)6-7-13(10)17-14-5-3-2-4-12(14)15/h2-8H,1H3.
What are the key properties of 4-(2-chlorophenoxy)-3-methylbenzonitrile?
4-(2-chlorophenoxy)-3-methylbenzonitrile 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 4-(2-chlorophenoxy)-3-methylbenzonitrile is sourced from PubChem (CID 54934374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).