5-chloro-2-[(2-methoxyphenyl)methoxy]benzonitrile

C15H12ClNO2 — CID 22661881

IUPAC5-chloro-2-[(2-methoxyphenyl)methoxy]benzonitrile
SMILESCOc1ccccc1COc1ccc(Cl)cc1C#N
InChIInChI=1S/C15H12ClNO2/c1-18-14-5-3-2-4-11(14)10-19-15-7-6-13(16)8-12(15)9-17/h2-8H,10H2,1H3
InChIKeyMROWTGJSNHNFMR-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.80
Rot. Bonds4

About 5-chloro-2-[(2-methoxyphenyl)methoxy]benzonitrile

5-chloro-2-[(2-methoxyphenyl)methoxy]benzonitrile (PubChem CID 22661881) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 5-chloro-2-[(2-methoxyphenyl)methoxy]benzonitrile.

Molecular Properties

Compound Name5-chloro-2-[(2-methoxyphenyl)methoxy]benzonitrile
PubChem CID22661881
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name5-chloro-2-[(2-methoxyphenyl)methoxy]benzonitrile
SMILESCOc1ccccc1COc1ccc(Cl)cc1C#N
InChIInChI=1S/C15H12ClNO2/c1-18-14-5-3-2-4-11(14)10-19-15-7-6-13(16)8-12(15)9-17/h2-8H,10H2,1H3
InChIKeyMROWTGJSNHNFMR-UHFFFAOYSA-N
XLogP3.80
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[(2-methylphenoxy)methyl]benzonitrile
CID 150348416
4-[(5-chloro-2-methoxyphenyl)methoxy]-2-fluorobenzonitrile
CID 78952742
5-chloro-2-[2-(2-methylphenoxy)ethoxy]benzonitrile
CID 22682440
2-[(2-amino-4-chlorophenoxy)methyl]benzonitrile
CID 24704666
2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]benzonitrile
CID 60880021
(2-cyanophenyl)methyl 2-(5-chloro-2-methoxyphenyl)acetate
CID 8616446
5-chloro-2-[2-(3-methoxyphenoxy)ethoxy]benzonitrile
CID 22683934
3-ethoxy-4-[(2-methoxyphenyl)methoxy]benzonitrile
CID 60656824
2-[2-[(5-chloro-2-cyanophenoxy)methyl]phenyl]acetic acid
CID 115460814
5-chloro-2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]benzonitrile
CID 133286179
5-chloro-2-(2-phenoxyethoxy)benzonitrile
CID 20989483
5-chloro-2-(furan-2-ylmethoxy)benzonitrile
CID 22661920

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2-methoxyphenyl)methoxy]benzonitrile?
The IUPAC name of 5-chloro-2-[(2-methoxyphenyl)methoxy]benzonitrile (CID 22661881) is 5-chloro-2-[(2-methoxyphenyl)methoxy]benzonitrile.
What is the SMILES notation for 5-chloro-2-[(2-methoxyphenyl)methoxy]benzonitrile?
The canonical SMILES for 5-chloro-2-[(2-methoxyphenyl)methoxy]benzonitrile is COc1ccccc1COc1ccc(Cl)cc1C#N.
What is the InChIKey of 5-chloro-2-[(2-methoxyphenyl)methoxy]benzonitrile?
The InChIKey is MROWTGJSNHNFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c1-18-14-5-3-2-4-11(14)10-19-15-7-6-13(16)8-12(15)9-17/h2-8H,10H2,1H3.
What are the key properties of 5-chloro-2-[(2-methoxyphenyl)methoxy]benzonitrile?
5-chloro-2-[(2-methoxyphenyl)methoxy]benzonitrile has a molecular weight of 273.72 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2-methoxyphenyl)methoxy]benzonitrile is sourced from PubChem (CID 22661881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).