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

C16H21NO — CID 116842284

IUPAC1-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile
SMILESCOc1ccc(C(C)C)cc1C1(C#N)CC1(C)C
InChIInChI=1S/C16H21NO/c1-11(2)12-6-7-14(18-5)13(8-12)16(10-17)9-15(16,3)4/h6-8,11H,9H2,1-5H3
InChIKeyWQRHSCHOTJILMK-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.01
Rot. Bonds3

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

1-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile (PubChem CID 116842284) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile
PubChem CID116842284
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile
SMILESCOc1ccc(C(C)C)cc1C1(C#N)CC1(C)C
InChIInChI=1S/C16H21NO/c1-11(2)12-6-7-14(18-5)13(8-12)16(10-17)9-15(16,3)4/h6-8,11H,9H2,1-5H3
InChIKeyWQRHSCHOTJILMK-UHFFFAOYSA-N
XLogP4.01
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile
CID 116842299
1-(3,4-dimethoxyphenyl)-2,2-dimethylcyclopropane-1-carbonitrile
CID 116842265
2-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,3-dioxane
CID 82131495
1-(2,5-dimethoxy-3,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile
CID 116842398
4-(2-methoxy-5-propan-2-ylphenyl)oxan-4-amine
CID 82297013
2-methoxy-4-propan-2-ylbenzonitrile
CID 82490541
2-iodo-1-methoxy-4-propan-2-ylbenzene
CID 90221993
2-(4-methoxy-3-propan-2-ylphenyl)-1-methylcyclopropane-1-carbonitrile
CID 116841983
6-[(2-methoxy-5-propan-2-ylphenyl)methyl]-6-methyl-1,4-diazepane
CID 98020438
1-[5-(1-fluoroethyl)-2-methoxyphenyl]cyclopentan-1-amine
CID 117347443
1-[5-(1-fluoroethyl)-2-methoxyphenyl]cyclobutan-1-amine
CID 117320262
2-amino-3-(2-methoxy-4-propan-2-ylphenyl)propanenitrile
CID 116851139

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile?
The IUPAC name of 1-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile (CID 116842284) is 1-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile?
The canonical SMILES for 1-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile is COc1ccc(C(C)C)cc1C1(C#N)CC1(C)C.
What is the InChIKey of 1-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile?
The InChIKey is WQRHSCHOTJILMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-11(2)12-6-7-14(18-5)13(8-12)16(10-17)9-15(16,3)4/h6-8,11H,9H2,1-5H3.
What are the key properties of 1-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile?
1-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile has a molecular weight of 243.35 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile is sourced from PubChem (CID 116842284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).