1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile

C17H23NO — CID 116842299

IUPAC1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile
SMILESCOc1cc(C)c(C2(C#N)CC2(C)C)cc1C(C)C
InChIInChI=1S/C17H23NO/c1-11(2)13-8-14(12(3)7-15(13)19-6)17(10-18)9-16(17,4)5/h7-8,11H,9H2,1-6H3
InChIKeyRXKSZKWIAKYWSG-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.32
Rot. Bonds3

About 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile

1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile (PubChem CID 116842299) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile
PubChem CID116842299
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile
SMILESCOc1cc(C)c(C2(C#N)CC2(C)C)cc1C(C)C
InChIInChI=1S/C17H23NO/c1-11(2)13-8-14(12(3)7-15(13)19-6)17(10-18)9-16(17,4)5/h7-8,11H,9H2,1-6H3
InChIKeyRXKSZKWIAKYWSG-UHFFFAOYSA-N
XLogP4.32
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile
CID 116842284
1-(2,5-dimethoxy-3,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile
CID 116842398
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117469278
1-[3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)oxetan-3-yl]ethanone
CID 116873715
(4-methoxy-2-methyl-5-propan-2-ylphenyl)-(1-methylcyclopropyl)methanamine
CID 82296040
2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfanylacetonitrile
CID 116853795
2,4-dimethoxy-5-propan-2-ylbenzonitrile
CID 117293477
1-(3,4-dimethoxyphenyl)-2,2-dimethylcyclopropane-1-carbonitrile
CID 116842265
5'-methoxy-1,1,1',1'-tetramethyl-6,6'-di(propan-2-yl)-3,3'-spirobi[2H-indene]-5-ol
CID 123147657
2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylacetonitrile
CID 116853692
2-(4-methoxy-3-propan-2-ylphenyl)-1-methylcyclopropane-1-carbonitrile
CID 116841983
1-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117413676

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile?
The IUPAC name of 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile (CID 116842299) is 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile?
The canonical SMILES for 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile is COc1cc(C)c(C2(C#N)CC2(C)C)cc1C(C)C.
What is the InChIKey of 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile?
The InChIKey is RXKSZKWIAKYWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-11(2)13-8-14(12(3)7-15(13)19-6)17(10-18)9-16(17,4)5/h7-8,11H,9H2,1-6H3.
What are the key properties of 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile?
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile has a molecular weight of 257.38 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile is sourced from PubChem (CID 116842299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).