1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropane-1-carbonitrile

C15H19NO — CID 116837181

IUPAC1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropane-1-carbonitrile
SMILESCOc1c(C)c(C)cc(C)c1CC1(C#N)CC1
InChIInChI=1S/C15H19NO/c1-10-7-11(2)13(14(17-4)12(10)3)8-15(9-16)5-6-15/h7H,5-6,8H2,1-4H3
InChIKeyJEUAVNOCWDTFPQ-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.47
Rot. Bonds3

About 1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropane-1-carbonitrile

1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropane-1-carbonitrile (PubChem CID 116837181) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropane-1-carbonitrile
PubChem CID116837181
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropane-1-carbonitrile
SMILESCOc1c(C)c(C)cc(C)c1CC1(C#N)CC1
InChIInChI=1S/C15H19NO/c1-10-7-11(2)13(14(17-4)12(10)3)8-15(9-16)5-6-15/h7H,5-6,8H2,1-4H3
InChIKeyJEUAVNOCWDTFPQ-UHFFFAOYSA-N
XLogP3.47
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropyl]methanol
CID 116928935
1-[(2-methoxy-3,4,6-trimethylanilino)methyl]cyclobutane-1-carbonitrile
CID 115245090
1-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]cyclobutane-1-carbonitrile
CID 116929209
4,4-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1-carbonitrile
CID 65390567
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexane-1-carbonitrile
CID 65376799
1-[(2,3-dimethoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-amine
CID 117343091
1-[(4-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile
CID 115242171
4-[(2,4,6-trimethylphenyl)methyl]oxane-4-carbonitrile
CID 65395205
2-(2-methoxy-3,4,6-trimethylphenyl)ethanethiol
CID 116927327
1-[[(2-methoxy-3,4,6-trimethylphenyl)methylamino]methyl]cyclopropan-1-amine
CID 115256740
1-[(3,4,5-trimethoxyphenyl)methyl]cyclobutane-1-carbonitrile
CID 116929250
1-[[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
CID 115242542

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropane-1-carbonitrile (CID 116837181) is 1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropane-1-carbonitrile is COc1c(C)c(C)cc(C)c1CC1(C#N)CC1.
What is the InChIKey of 1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropane-1-carbonitrile?
The InChIKey is JEUAVNOCWDTFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-10-7-11(2)13(14(17-4)12(10)3)8-15(9-16)5-6-15/h7H,5-6,8H2,1-4H3.
What are the key properties of 1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropane-1-carbonitrile?
1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropane-1-carbonitrile has a molecular weight of 229.32 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 116837181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).