4-[(4-chlorophenyl)methoxy]-3-methoxybenzonitrile

C15H12ClNO2 — CID 2240004

IUPAC4-[(4-chlorophenyl)methoxy]-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C15H12ClNO2/c1-18-15-8-12(9-17)4-7-14(15)19-10-11-2-5-13(16)6-3-11/h2-8H,10H2,1H3
InChIKeyBCZGVIIJSNPFKT-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.80
Rot. Bonds4

About 4-[(4-chlorophenyl)methoxy]-3-methoxybenzonitrile

4-[(4-chlorophenyl)methoxy]-3-methoxybenzonitrile (PubChem CID 2240004) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-3-methoxybenzonitrile.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-3-methoxybenzonitrile
PubChem CID2240004
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name4-[(4-chlorophenyl)methoxy]-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C15H12ClNO2/c1-18-15-8-12(9-17)4-7-14(15)19-10-11-2-5-13(16)6-3-11/h2-8H,10H2,1H3
InChIKeyBCZGVIIJSNPFKT-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-[(4-cyanophenyl)methoxy]-3-methoxybenzonitrile
CID 4808207
3-chloro-4-[(3,4-dimethoxyphenyl)methoxy]benzonitrile
CID 61389153
3-methoxy-4-(thiophen-3-ylmethoxy)benzonitrile
CID 43646133
3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzonitrile
CID 103760137
3-methoxy-4-[(4-pyrazol-1-ylphenyl)methoxy]benzonitrile
CID 17499743
3-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]benzonitrile
CID 102881171
4-[(5-chloropyrazin-2-yl)methoxy]-3-methoxybenzonitrile
CID 103054689
4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]benzonitrile
CID 26054579
4-[(4-cyano-2-methoxyphenoxy)methyl]-3-methylbenzonitrile
CID 114481463
3-chloro-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]benzonitrile
CID 8977323
4-(5-chloropentoxy)-3-methoxybenzonitrile
CID 43348380
4-chloro-2-[(4-cyanophenyl)methoxy]benzonitrile
CID 80708494

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-3-methoxybenzonitrile?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-3-methoxybenzonitrile (CID 2240004) is 4-[(4-chlorophenyl)methoxy]-3-methoxybenzonitrile.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-3-methoxybenzonitrile?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-3-methoxybenzonitrile is COc1cc(C#N)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-3-methoxybenzonitrile?
The InChIKey is BCZGVIIJSNPFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c1-18-15-8-12(9-17)4-7-14(15)19-10-11-2-5-13(16)6-3-11/h2-8H,10H2,1H3.
What are the key properties of 4-[(4-chlorophenyl)methoxy]-3-methoxybenzonitrile?
4-[(4-chlorophenyl)methoxy]-3-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 4-[(4-chlorophenyl)methoxy]-3-methoxybenzonitrile is sourced from PubChem (CID 2240004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).