2-[(4-chlorophenyl)methoxy]-6-methoxybenzonitrile

C15H12ClNO2 — CID 2824435

IUPAC2-[(4-chlorophenyl)methoxy]-6-methoxybenzonitrile
SMILESCOc1cccc(OCc2ccc(Cl)cc2)c1C#N
InChIInChI=1S/C15H12ClNO2/c1-18-14-3-2-4-15(13(14)9-17)19-10-11-5-7-12(16)8-6-11/h2-8H,10H2,1H3
InChIKeyGOYLMWYDYSHDDL-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.80
Rot. Bonds4

About 2-[(4-chlorophenyl)methoxy]-6-methoxybenzonitrile

2-[(4-chlorophenyl)methoxy]-6-methoxybenzonitrile (PubChem CID 2824435) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxy]-6-methoxybenzonitrile.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methoxy]-6-methoxybenzonitrile
PubChem CID2824435
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name2-[(4-chlorophenyl)methoxy]-6-methoxybenzonitrile
SMILESCOc1cccc(OCc2ccc(Cl)cc2)c1C#N
InChIInChI=1S/C15H12ClNO2/c1-18-14-3-2-4-15(13(14)9-17)19-10-11-5-7-12(16)8-6-11/h2-8H,10H2,1H3
InChIKeyGOYLMWYDYSHDDL-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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxy]-6-methoxybenzonitrile?
The IUPAC name of 2-[(4-chlorophenyl)methoxy]-6-methoxybenzonitrile (CID 2824435) is 2-[(4-chlorophenyl)methoxy]-6-methoxybenzonitrile.
What is the SMILES notation for 2-[(4-chlorophenyl)methoxy]-6-methoxybenzonitrile?
The canonical SMILES for 2-[(4-chlorophenyl)methoxy]-6-methoxybenzonitrile is COc1cccc(OCc2ccc(Cl)cc2)c1C#N.
What is the InChIKey of 2-[(4-chlorophenyl)methoxy]-6-methoxybenzonitrile?
The InChIKey is GOYLMWYDYSHDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c1-18-14-3-2-4-15(13(14)9-17)19-10-11-5-7-12(16)8-6-11/h2-8H,10H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methoxy]-6-methoxybenzonitrile?
2-[(4-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-[(4-chlorophenyl)methoxy]-6-methoxybenzonitrile is sourced from PubChem (CID 2824435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).