1-[(4-methoxy-2,5-dimethylphenyl)methyl]cyclobutane-1-carbonitrile

C15H19NO — CID 116929182

IUPAC1-[(4-methoxy-2,5-dimethylphenyl)methyl]cyclobutane-1-carbonitrile
SMILESCOc1cc(C)c(CC2(C#N)CCC2)cc1C
InChIInChI=1S/C15H19NO/c1-11-8-14(17-3)12(2)7-13(11)9-15(10-16)5-4-6-15/h7-8H,4-6,9H2,1-3H3
InChIKeyUFAURCOGWLPCNG-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.55
Rot. Bonds3

About 1-[(4-methoxy-2,5-dimethylphenyl)methyl]cyclobutane-1-carbonitrile

1-[(4-methoxy-2,5-dimethylphenyl)methyl]cyclobutane-1-carbonitrile (PubChem CID 116929182) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-[(4-methoxy-2,5-dimethylphenyl)methyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[(4-methoxy-2,5-dimethylphenyl)methyl]cyclobutane-1-carbonitrile
PubChem CID116929182
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-[(4-methoxy-2,5-dimethylphenyl)methyl]cyclobutane-1-carbonitrile
SMILESCOc1cc(C)c(CC2(C#N)CCC2)cc1C
InChIInChI=1S/C15H19NO/c1-11-8-14(17-3)12(2)7-13(11)9-15(10-16)5-4-6-15/h7-8H,4-6,9H2,1-3H3
InChIKeyUFAURCOGWLPCNG-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-chloro-4-methoxy-2-methylphenyl)methyl]cyclobutane-1-carbonitrile
CID 116929195
1-[(2-methoxy-5-methylphenyl)methyl]cyclobutane-1-carbonitrile
CID 65376622
1-[[(2-methoxy-4,5-dimethylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile
CID 115245252
1-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]cyclobutane-1-carbonitrile
CID 116929209
1-[(3,4,5-trimethoxyphenyl)methyl]cyclobutane-1-carbonitrile
CID 116929250
1-[(5-bromo-2-methylphenyl)methyl]cyclobutane-1-carbonitrile
CID 116929246
1-[(5-chloro-2-methoxy-4-methylanilino)methyl]cyclobutane-1-carbonitrile
CID 115245026
1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropane-1-carbonitrile
CID 116837091
1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropan-1-amine
CID 105423331
1-[(2,4-dimethoxy-6-methylanilino)methyl]cyclobutane-1-carbonitrile
CID 115245077
1-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentane-1-carbonitrile
CID 65377847
1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutane-1-carboxylic acid
CID 116929511

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-2,5-dimethylphenyl)methyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[(4-methoxy-2,5-dimethylphenyl)methyl]cyclobutane-1-carbonitrile (CID 116929182) is 1-[(4-methoxy-2,5-dimethylphenyl)methyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[(4-methoxy-2,5-dimethylphenyl)methyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[(4-methoxy-2,5-dimethylphenyl)methyl]cyclobutane-1-carbonitrile is COc1cc(C)c(CC2(C#N)CCC2)cc1C.
What is the InChIKey of 1-[(4-methoxy-2,5-dimethylphenyl)methyl]cyclobutane-1-carbonitrile?
The InChIKey is UFAURCOGWLPCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-11-8-14(17-3)12(2)7-13(11)9-15(10-16)5-4-6-15/h7-8H,4-6,9H2,1-3H3.
What are the key properties of 1-[(4-methoxy-2,5-dimethylphenyl)methyl]cyclobutane-1-carbonitrile?
1-[(4-methoxy-2,5-dimethylphenyl)methyl]cyclobutane-1-carbonitrile has a molecular weight of 229.32 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-2,5-dimethylphenyl)methyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 116929182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).