2-chloro-6-(2-methoxy-4-methylphenoxy)benzonitrile

C15H12ClNO2 — CID 60701774

IUPAC2-chloro-6-(2-methoxy-4-methylphenoxy)benzonitrile
SMILESCOc1cc(C)ccc1Oc1cccc(Cl)c1C#N
InChIInChI=1S/C15H12ClNO2/c1-10-6-7-14(15(8-10)18-2)19-13-5-3-4-12(16)11(13)9-17/h3-8H,1-2H3
InChIKeyQVNJVZRVVBICCH-UHFFFAOYSA-N
MW273.72 g/mol
LogP4.32
Rot. Bonds3

About 2-chloro-6-(2-methoxy-4-methylphenoxy)benzonitrile

2-chloro-6-(2-methoxy-4-methylphenoxy)benzonitrile (PubChem CID 60701774) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-chloro-6-(2-methoxy-4-methylphenoxy)benzonitrile.

Molecular Properties

Compound Name2-chloro-6-(2-methoxy-4-methylphenoxy)benzonitrile
PubChem CID60701774
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name2-chloro-6-(2-methoxy-4-methylphenoxy)benzonitrile
SMILESCOc1cc(C)ccc1Oc1cccc(Cl)c1C#N
InChIInChI=1S/C15H12ClNO2/c1-10-6-7-14(15(8-10)18-2)19-13-5-3-4-12(16)11(13)9-17/h3-8H,1-2H3
InChIKeyQVNJVZRVVBICCH-UHFFFAOYSA-N
XLogP4.32
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-4-methylphenoxy)-6-chlorobenzonitrile
CID 62497150
2-(3-chloro-2-cyanophenoxy)-4-methylbenzoic acid
CID 62496708
2-chloro-6-(2,4,5-trichlorophenoxy)benzonitrile
CID 60677682
2-chloro-6-(2-chlorophenoxy)benzonitrile
CID 60701753
2-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]ethanamine
CID 63815220
2-(2,4-dichlorophenoxy)-6-methylbenzonitrile
CID 21429560
1-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]propan-2-amine
CID 63815045
2-(4-cyano-2-methoxyphenoxy)-4-methylbenzonitrile
CID 62303478
2-chloro-6-(2,4-dibromophenoxy)benzonitrile
CID 60678698
4-(3-chloro-2-cyanophenoxy)-3-methylbenzoic acid
CID 107672821
1,2-dichloro-3-[3-(2-methoxy-4-methylphenoxy)propoxy]benzene
CID 2284407
2-chloro-6-[6-(3-chloro-2-cyanophenoxy)naphthalen-2-yl]oxybenzonitrile
CID 58559891

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-methoxy-4-methylphenoxy)benzonitrile?
The IUPAC name of 2-chloro-6-(2-methoxy-4-methylphenoxy)benzonitrile (CID 60701774) is 2-chloro-6-(2-methoxy-4-methylphenoxy)benzonitrile.
What is the SMILES notation for 2-chloro-6-(2-methoxy-4-methylphenoxy)benzonitrile?
The canonical SMILES for 2-chloro-6-(2-methoxy-4-methylphenoxy)benzonitrile is COc1cc(C)ccc1Oc1cccc(Cl)c1C#N.
What is the InChIKey of 2-chloro-6-(2-methoxy-4-methylphenoxy)benzonitrile?
The InChIKey is QVNJVZRVVBICCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c1-10-6-7-14(15(8-10)18-2)19-13-5-3-4-12(16)11(13)9-17/h3-8H,1-2H3.
What are the key properties of 2-chloro-6-(2-methoxy-4-methylphenoxy)benzonitrile?
2-chloro-6-(2-methoxy-4-methylphenoxy)benzonitrile has a molecular weight of 273.72 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-methoxy-4-methylphenoxy)benzonitrile is sourced from PubChem (CID 60701774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).