4-[(2,5-dimethylphenyl)methoxy]-3,5-dimethylbenzonitrile

C18H19NO — CID 65470169

IUPAC4-[(2,5-dimethylphenyl)methoxy]-3,5-dimethylbenzonitrile
SMILESCc1ccc(C)c(COc2c(C)cc(C#N)cc2C)c1
InChIInChI=1S/C18H19NO/c1-12-5-6-13(2)17(7-12)11-20-18-14(3)8-16(10-19)9-15(18)4/h5-9H,11H2,1-4H3
InChIKeyXWCRBIUDHKGFSP-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.37
Rot. Bonds3

About 4-[(2,5-dimethylphenyl)methoxy]-3,5-dimethylbenzonitrile

4-[(2,5-dimethylphenyl)methoxy]-3,5-dimethylbenzonitrile (PubChem CID 65470169) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[(2,5-dimethylphenyl)methoxy]-3,5-dimethylbenzonitrile.

Molecular Properties

Compound Name4-[(2,5-dimethylphenyl)methoxy]-3,5-dimethylbenzonitrile
PubChem CID65470169
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name4-[(2,5-dimethylphenyl)methoxy]-3,5-dimethylbenzonitrile
SMILESCc1ccc(C)c(COc2c(C)cc(C#N)cc2C)c1
InChIInChI=1S/C18H19NO/c1-12-5-6-13(2)17(7-12)11-20-18-14(3)8-16(10-19)9-15(18)4/h5-9H,11H2,1-4H3
InChIKeyXWCRBIUDHKGFSP-UHFFFAOYSA-N
XLogP4.37
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-4-[(4-methylphenyl)methoxy]benzonitrile
CID 65472094
5-(chloromethyl)-2-[(2,5-dimethylphenyl)methoxy]-1,3-dimethylbenzene
CID 63535326
4-[(2-chloro-3-pyridinyl)methoxy]-3,5-dimethylbenzonitrile
CID 65472278
4-[(2-amino-4-chlorophenyl)methoxy]-3,5-dimethylbenzonitrile
CID 65453921
4-[(2-amino-5-chlorophenyl)methoxy]-3,5-dimethylbenzonitrile
CID 79582988
4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzonitrile
CID 65477803
4-[(2,5-dimethylphenyl)methoxy]-2-fluorobenzonitrile
CID 78952741
3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]benzonitrile
CID 82866204
3-[(4-cyano-2,6-dimethylphenoxy)methyl]furan-2-carbohydrazide
CID 65472904
3,5-dimethyl-4-(2-methylpropoxy)benzonitrile
CID 65454303
4-(dimethylaminosulfanylmethoxy)-3,5-dimethylbenzonitrile
CID 91583989
2-[(4-tert-butylphenoxy)methyl]-1,4-dimethylbenzene
CID 60627982

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylphenyl)methoxy]-3,5-dimethylbenzonitrile?
The IUPAC name of 4-[(2,5-dimethylphenyl)methoxy]-3,5-dimethylbenzonitrile (CID 65470169) is 4-[(2,5-dimethylphenyl)methoxy]-3,5-dimethylbenzonitrile.
What is the SMILES notation for 4-[(2,5-dimethylphenyl)methoxy]-3,5-dimethylbenzonitrile?
The canonical SMILES for 4-[(2,5-dimethylphenyl)methoxy]-3,5-dimethylbenzonitrile is Cc1ccc(C)c(COc2c(C)cc(C#N)cc2C)c1.
What is the InChIKey of 4-[(2,5-dimethylphenyl)methoxy]-3,5-dimethylbenzonitrile?
The InChIKey is XWCRBIUDHKGFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-12-5-6-13(2)17(7-12)11-20-18-14(3)8-16(10-19)9-15(18)4/h5-9H,11H2,1-4H3.
What are the key properties of 4-[(2,5-dimethylphenyl)methoxy]-3,5-dimethylbenzonitrile?
4-[(2,5-dimethylphenyl)methoxy]-3,5-dimethylbenzonitrile has a molecular weight of 265.36 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylphenyl)methoxy]-3,5-dimethylbenzonitrile is sourced from PubChem (CID 65470169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).