5-(2,4-dimethylphenyl)-2-propan-2-yloxybenzonitrile

C18H19NO — CID 175684018

IUPAC5-(2,4-dimethylphenyl)-2-propan-2-yloxybenzonitrile
SMILESCc1ccc(-c2ccc(OC(C)C)c(C#N)c2)c(C)c1
InChIInChI=1S/C18H19NO/c1-12(2)20-18-8-6-15(10-16(18)11-19)17-7-5-13(3)9-14(17)4/h5-10,12H,1-4H3
InChIKeyVVHFBEHYZNHOTC-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.63
Rot. Bonds3

About 5-(2,4-dimethylphenyl)-2-propan-2-yloxybenzonitrile

5-(2,4-dimethylphenyl)-2-propan-2-yloxybenzonitrile (PubChem CID 175684018) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-(2,4-dimethylphenyl)-2-propan-2-yloxybenzonitrile.

Molecular Properties

Compound Name5-(2,4-dimethylphenyl)-2-propan-2-yloxybenzonitrile
PubChem CID175684018
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name5-(2,4-dimethylphenyl)-2-propan-2-yloxybenzonitrile
SMILESCc1ccc(-c2ccc(OC(C)C)c(C#N)c2)c(C)c1
InChIInChI=1S/C18H19NO/c1-12(2)20-18-8-6-15(10-16(18)11-19)17-7-5-13(3)9-14(17)4/h5-10,12H,1-4H3
InChIKeyVVHFBEHYZNHOTC-UHFFFAOYSA-N
XLogP4.63
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 ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-chlorophenyl)-2-propan-2-yloxybenzonitrile
CID 175684056
5-(5-bromothiophen-2-yl)-2-propan-2-yloxybenzonitrile
CID 58367148
5-(3-chloro-2-fluorophenyl)-2-propan-2-yloxybenzonitrile
CID 175684025
5-(3-chlorophenyl)-2-propan-2-yloxybenzonitrile
CID 175684041
5-(3-fluorophenyl)-2-propan-2-yloxybenzonitrile
CID 175684040
3-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)thiophen-2-yl]-3-methylphenyl]propanoic acid
CID 11632823
5-[5-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile
CID 139438144
5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-propan-2-yloxybenzonitrile
CID 148962938
4,5-di(propan-2-yloxy)benzene-1,2-dicarbonitrile
CID 141478282
2-(2,4-dimethylphenoxy)-5-methylbenzonitrile
CID 107928070
4-(2-chloro-4-fluorophenyl)-2-propan-2-yloxybenzonitrile
CID 175684104
4-(2-fluorophenyl)-2-propan-2-yloxybenzonitrile
CID 175684093

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylphenyl)-2-propan-2-yloxybenzonitrile?
The IUPAC name of 5-(2,4-dimethylphenyl)-2-propan-2-yloxybenzonitrile (CID 175684018) is 5-(2,4-dimethylphenyl)-2-propan-2-yloxybenzonitrile.
What is the SMILES notation for 5-(2,4-dimethylphenyl)-2-propan-2-yloxybenzonitrile?
The canonical SMILES for 5-(2,4-dimethylphenyl)-2-propan-2-yloxybenzonitrile is Cc1ccc(-c2ccc(OC(C)C)c(C#N)c2)c(C)c1.
What is the InChIKey of 5-(2,4-dimethylphenyl)-2-propan-2-yloxybenzonitrile?
The InChIKey is VVHFBEHYZNHOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-12(2)20-18-8-6-15(10-16(18)11-19)17-7-5-13(3)9-14(17)4/h5-10,12H,1-4H3.
What are the key properties of 5-(2,4-dimethylphenyl)-2-propan-2-yloxybenzonitrile?
5-(2,4-dimethylphenyl)-2-propan-2-yloxybenzonitrile has a molecular weight of 265.36 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylphenyl)-2-propan-2-yloxybenzonitrile is sourced from PubChem (CID 175684018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).