1-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]cyclobutane-1-carbonitrile

C15H18ClNO — CID 116929209

IUPAC1-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]cyclobutane-1-carbonitrile
SMILESCOc1cc(C)c(Cl)c(C)c1CC1(C#N)CCC1
InChIInChI=1S/C15H18ClNO/c1-10-7-13(18-3)12(11(2)14(10)16)8-15(9-17)5-4-6-15/h7H,4-6,8H2,1-3H3
InChIKeyCIHKAWGPZIEGEM-UHFFFAOYSA-N
MW263.77 g/mol
LogP4.20
Rot. Bonds3

About 1-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]cyclobutane-1-carbonitrile

1-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]cyclobutane-1-carbonitrile (PubChem CID 116929209) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 1-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]cyclobutane-1-carbonitrile
PubChem CID116929209
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name1-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]cyclobutane-1-carbonitrile
SMILESCOc1cc(C)c(Cl)c(C)c1CC1(C#N)CCC1
InChIInChI=1S/C15H18ClNO/c1-10-7-13(18-3)12(11(2)14(10)16)8-15(9-17)5-4-6-15/h7H,4-6,8H2,1-3H3
InChIKeyCIHKAWGPZIEGEM-UHFFFAOYSA-N
XLogP4.20
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 54.20
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-[(4-methoxy-2,5-dimethylphenyl)methyl]cyclobutane-1-carbonitrile
CID 116929182
1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropane-1-carbonitrile
CID 116837181
1-[(5-chloro-2-methoxy-4-methylanilino)methyl]cyclobutane-1-carbonitrile
CID 115245026
1-[(3,4,5-trimethoxyphenyl)methyl]cyclobutane-1-carbonitrile
CID 116929250
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)cyclobutyl]methanamine
CID 116963562
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfanylacetonitrile
CID 116853812
1-[(2,4-dimethoxy-6-methylanilino)methyl]cyclobutane-1-carbonitrile
CID 115245077
1-[1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]-N-methylmethanamine
CID 116963630
1-[(2-methoxy-3,4,6-trimethylanilino)methyl]cyclobutane-1-carbonitrile
CID 115245090

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]cyclobutane-1-carbonitrile (CID 116929209) is 1-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]cyclobutane-1-carbonitrile is COc1cc(C)c(Cl)c(C)c1CC1(C#N)CCC1.
What is the InChIKey of 1-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]cyclobutane-1-carbonitrile?
The InChIKey is CIHKAWGPZIEGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-10-7-13(18-3)12(11(2)14(10)16)8-15(9-17)5-4-6-15/h7H,4-6,8H2,1-3H3.
What are the key properties of 1-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]cyclobutane-1-carbonitrile?
1-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]cyclobutane-1-carbonitrile has a molecular weight of 263.77 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 116929209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).