4-[(3-methylphenyl)methoxy]benzonitrile

C15H13NO — CID 2226315

IUPAC4-[(3-methylphenyl)methoxy]benzonitrile
SMILESCc1cccc(COc2ccc(C#N)cc2)c1
InChIInChI=1S/C15H13NO/c1-12-3-2-4-14(9-12)11-17-15-7-5-13(10-16)6-8-15/h2-9H,11H2,1H3
InChIKeyODUADHGQLFSWOS-UHFFFAOYSA-N
MW223.27 g/mol
LogP3.45
Rot. Bonds3

About 4-[(3-methylphenyl)methoxy]benzonitrile

4-[(3-methylphenyl)methoxy]benzonitrile (PubChem CID 2226315) has the molecular formula C15H13NO and a molecular weight of 223.27 g/mol. Its IUPAC name is 4-[(3-methylphenyl)methoxy]benzonitrile.

Molecular Properties

Compound Name4-[(3-methylphenyl)methoxy]benzonitrile
PubChem CID2226315
Molecular FormulaC15H13NO
Molecular Weight223.27 g/mol
Exact Mass223.10
IUPAC Name4-[(3-methylphenyl)methoxy]benzonitrile
SMILESCc1cccc(COc2ccc(C#N)cc2)c1
InChIInChI=1S/C15H13NO/c1-12-3-2-4-14(9-12)11-17-15-7-5-13(10-16)6-8-15/h2-9H,11H2,1H3
InChIKeyODUADHGQLFSWOS-UHFFFAOYSA-N
XLogP3.45
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;4-[[3-(phenoxymethyl)phenyl]methoxy]benzonitrile
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1-methyl-3-[[4-[[4-[(3-methylphenyl)methoxy]phenyl]disulfanyl]phenoxy]methyl]benzene
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4-[3-(3-methylphenoxy)propoxy]benzonitrile
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4-[(4-cyanophenoxy)methyl]benzonitrile
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4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]benzonitrile
CID 10863286
1,2,4-tris[(3-methylphenyl)methoxy]benzene
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4-[4-[2-(3-methylphenoxy)ethoxy]phenyl]benzonitrile
CID 7670232
6-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168587033
3-[[4-(methylamino)phenoxy]methyl]benzonitrile
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4-[(3-acetylphenyl)methoxy]benzonitrile;diiodovanadium
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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylphenyl)methoxy]benzonitrile?
The IUPAC name of 4-[(3-methylphenyl)methoxy]benzonitrile (CID 2226315) is 4-[(3-methylphenyl)methoxy]benzonitrile.
What is the SMILES notation for 4-[(3-methylphenyl)methoxy]benzonitrile?
The canonical SMILES for 4-[(3-methylphenyl)methoxy]benzonitrile is Cc1cccc(COc2ccc(C#N)cc2)c1.
What is the InChIKey of 4-[(3-methylphenyl)methoxy]benzonitrile?
The InChIKey is ODUADHGQLFSWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-12-3-2-4-14(9-12)11-17-15-7-5-13(10-16)6-8-15/h2-9H,11H2,1H3.
What are the key properties of 4-[(3-methylphenyl)methoxy]benzonitrile?
4-[(3-methylphenyl)methoxy]benzonitrile has a molecular weight of 223.27 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylphenyl)methoxy]benzonitrile is sourced from PubChem (CID 2226315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).