2-[(3-chlorophenyl)methoxy]-6-methoxybenzonitrile

C15H12ClNO2 — CID 53423180

IUPAC2-[(3-chlorophenyl)methoxy]-6-methoxybenzonitrile
SMILESCOc1cccc(OCc2cccc(Cl)c2)c1C#N
InChIInChI=1S/C15H12ClNO2/c1-18-14-6-3-7-15(13(14)9-17)19-10-11-4-2-5-12(16)8-11/h2-8H,10H2,1H3
InChIKeyVNEOKXRPFWMBDP-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.80
Rot. Bonds4

About 2-[(3-chlorophenyl)methoxy]-6-methoxybenzonitrile

2-[(3-chlorophenyl)methoxy]-6-methoxybenzonitrile (PubChem CID 53423180) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methoxy]-6-methoxybenzonitrile.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methoxy]-6-methoxybenzonitrile
PubChem CID53423180
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name2-[(3-chlorophenyl)methoxy]-6-methoxybenzonitrile
SMILESCOc1cccc(OCc2cccc(Cl)c2)c1C#N
InChIInChI=1S/C15H12ClNO2/c1-18-14-6-3-7-15(13(14)9-17)19-10-11-4-2-5-12(16)8-11/h2-8H,10H2,1H3
InChIKeyVNEOKXRPFWMBDP-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

4-[(3-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carbonitrile
CID 80979840
2,4-diamino-6-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]pyrimidine-5-carbonitrile
CID 169397352
2-[(3-chlorophenyl)methoxy]-1,3-dimethoxy-5-methylbenzene
CID 59303411
2-[(3-chlorophenyl)methoxy]phenol
CID 18947333
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
2-[(4-cyano-3-methoxyphenyl)methoxy]-6-fluorobenzonitrile
CID 106788587
2-[(3-chlorophenyl)methoxy]-6-methylaniline
CID 43438078
1-tert-butyl-2-[(3-chlorophenyl)methoxy]benzene
CID 64765327
2-[(3-chlorophenyl)methylamino]-3-methoxybenzonitrile
CID 107467002
4-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile
CID 106788545
5-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile
CID 65344467
3-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-2-cyanoprop-2-enoic acid
CID 20985423

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methoxy]-6-methoxybenzonitrile?
The IUPAC name of 2-[(3-chlorophenyl)methoxy]-6-methoxybenzonitrile (CID 53423180) is 2-[(3-chlorophenyl)methoxy]-6-methoxybenzonitrile.
What is the SMILES notation for 2-[(3-chlorophenyl)methoxy]-6-methoxybenzonitrile?
The canonical SMILES for 2-[(3-chlorophenyl)methoxy]-6-methoxybenzonitrile is COc1cccc(OCc2cccc(Cl)c2)c1C#N.
What is the InChIKey of 2-[(3-chlorophenyl)methoxy]-6-methoxybenzonitrile?
The InChIKey is VNEOKXRPFWMBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c1-18-14-6-3-7-15(13(14)9-17)19-10-11-4-2-5-12(16)8-11/h2-8H,10H2,1H3.
What are the key properties of 2-[(3-chlorophenyl)methoxy]-6-methoxybenzonitrile?
2-[(3-chlorophenyl)methoxy]-6-methoxybenzonitrile 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 2-[(3-chlorophenyl)methoxy]-6-methoxybenzonitrile is sourced from PubChem (CID 53423180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).