2-(2,5-dimethoxy-4-methylphenyl)-1-methylcyclopropane-1-carbonitrile

C14H17NO2 — CID 116842028

IUPAC2-(2,5-dimethoxy-4-methylphenyl)-1-methylcyclopropane-1-carbonitrile
SMILESCOc1cc(C2CC2(C)C#N)c(OC)cc1C
InChIInChI=1S/C14H17NO2/c1-9-5-13(17-4)10(6-12(9)16-3)11-7-14(11,2)8-15/h5-6,11H,7H2,1-4H3
InChIKeyQXUQNPQQEOIDIJ-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.03
Rot. Bonds3

About 2-(2,5-dimethoxy-4-methylphenyl)-1-methylcyclopropane-1-carbonitrile

2-(2,5-dimethoxy-4-methylphenyl)-1-methylcyclopropane-1-carbonitrile (PubChem CID 116842028) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-(2,5-dimethoxy-4-methylphenyl)-1-methylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2-(2,5-dimethoxy-4-methylphenyl)-1-methylcyclopropane-1-carbonitrile
PubChem CID116842028
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name2-(2,5-dimethoxy-4-methylphenyl)-1-methylcyclopropane-1-carbonitrile
SMILESCOc1cc(C2CC2(C)C#N)c(OC)cc1C
InChIInChI=1S/C14H17NO2/c1-9-5-13(17-4)10(6-12(9)16-3)11-7-14(11,2)8-15/h5-6,11H,7H2,1-4H3
InChIKeyQXUQNPQQEOIDIJ-UHFFFAOYSA-N
XLogP3.03
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-ethyl-2-methoxyphenyl)-1-methylcyclopropane-1-carbonitrile
CID 116842005
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
2-(4-methoxy-3-propan-2-ylphenyl)-1-methylcyclopropane-1-carbonitrile
CID 116841983
1-methyl-2-(2-methyl-5-propan-2-ylphenyl)cyclopropane-1-carbonitrile
CID 116842037
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
6-methoxy-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinoline
CID 21498610
1-[(4-methoxy-2,5-dimethylphenyl)methyl]cyclobutane-1-carbonitrile
CID 116929182
2,5-dimethoxy-4-methylbenzoyl cyanide
CID 116918983
1-methyl-2-(3-methylphenyl)cyclopropane-1-carbonitrile
CID 116842076
2-(4-methoxy-2,5-dimethylphenyl)oxirane
CID 82074963
(3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine
CID 96674039
4-(4-methoxy-2,5-dimethylphenyl)-2-oxoimidazolidine-1-carbonitrile
CID 116980017

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxy-4-methylphenyl)-1-methylcyclopropane-1-carbonitrile?
The IUPAC name of 2-(2,5-dimethoxy-4-methylphenyl)-1-methylcyclopropane-1-carbonitrile (CID 116842028) is 2-(2,5-dimethoxy-4-methylphenyl)-1-methylcyclopropane-1-carbonitrile.
What is the SMILES notation for 2-(2,5-dimethoxy-4-methylphenyl)-1-methylcyclopropane-1-carbonitrile?
The canonical SMILES for 2-(2,5-dimethoxy-4-methylphenyl)-1-methylcyclopropane-1-carbonitrile is COc1cc(C2CC2(C)C#N)c(OC)cc1C.
What is the InChIKey of 2-(2,5-dimethoxy-4-methylphenyl)-1-methylcyclopropane-1-carbonitrile?
The InChIKey is QXUQNPQQEOIDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9-5-13(17-4)10(6-12(9)16-3)11-7-14(11,2)8-15/h5-6,11H,7H2,1-4H3.
What are the key properties of 2-(2,5-dimethoxy-4-methylphenyl)-1-methylcyclopropane-1-carbonitrile?
2-(2,5-dimethoxy-4-methylphenyl)-1-methylcyclopropane-1-carbonitrile has a molecular weight of 231.29 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxy-4-methylphenyl)-1-methylcyclopropane-1-carbonitrile is sourced from PubChem (CID 116842028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).