2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]acetonitrile

C15H19NO — CID 84792905

IUPAC2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]acetonitrile
SMILESCc1cc(CC#N)c(OCC2CCC2)cc1C
InChIInChI=1S/C15H19NO/c1-11-8-14(6-7-16)15(9-12(11)2)17-10-13-4-3-5-13/h8-9,13H,3-6,10H2,1-2H3
InChIKeyUJQCGCXSNGVZHF-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.55
Rot. Bonds4

About 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]acetonitrile

2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]acetonitrile (PubChem CID 84792905) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]acetonitrile
PubChem CID84792905
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]acetonitrile
SMILESCc1cc(CC#N)c(OCC2CCC2)cc1C
InChIInChI=1S/C15H19NO/c1-11-8-14(6-7-16)15(9-12(11)2)17-10-13-4-3-5-13/h8-9,13H,3-6,10H2,1-2H3
InChIKeyUJQCGCXSNGVZHF-UHFFFAOYSA-N
XLogP3.55
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]propan-2-one
CID 117368520
4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]butan-1-amine
CID 117408754
5-bromo-2-(cyclobutylmethoxy)-3-methylbenzonitrile
CID 171919359
2-(cyclopentylmethoxy)-5-methylbenzonitrile
CID 107928225
2-(cyclobutylmethoxy)-1-methyl-4-propan-2-ylbenzene
CID 81004753
[1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclobutyl]methanamine
CID 117436607
2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetic acid
CID 117415272
2-amino-6-(cyclobutylmethoxy)-3,4-dimethylphenol
CID 84686875
2-[2-chloro-3-(cyclopropylmethoxy)phenyl]acetonitrile
CID 84788345
3-(cyclobutylmethoxy)-4-methylbenzoic acid
CID 65458690
4-chloro-1-(cyclobutylmethoxy)-2-methylbenzene
CID 127017270
2-[2-(piperidin-4-ylmethoxy)phenyl]acetonitrile
CID 170886397

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]acetonitrile?
The IUPAC name of 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]acetonitrile (CID 84792905) is 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]acetonitrile.
What is the SMILES notation for 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]acetonitrile?
The canonical SMILES for 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]acetonitrile is Cc1cc(CC#N)c(OCC2CCC2)cc1C.
What is the InChIKey of 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]acetonitrile?
The InChIKey is UJQCGCXSNGVZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-11-8-14(6-7-16)15(9-12(11)2)17-10-13-4-3-5-13/h8-9,13H,3-6,10H2,1-2H3.
What are the key properties of 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]acetonitrile?
2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]acetonitrile has a molecular weight of 229.32 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]acetonitrile is sourced from PubChem (CID 84792905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).