1-[(2-methoxy-5-methylphenyl)methyl]cyclobutane-1-carbonitrile

C14H17NO — CID 65376622

IUPAC1-[(2-methoxy-5-methylphenyl)methyl]cyclobutane-1-carbonitrile
SMILESCOc1ccc(C)cc1CC1(C#N)CCC1
InChIInChI=1S/C14H17NO/c1-11-4-5-13(16-2)12(8-11)9-14(10-15)6-3-7-14/h4-5,8H,3,6-7,9H2,1-2H3
InChIKeyRQESVYHNJLJPCZ-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.24
Rot. Bonds3

About 1-[(2-methoxy-5-methylphenyl)methyl]cyclobutane-1-carbonitrile

1-[(2-methoxy-5-methylphenyl)methyl]cyclobutane-1-carbonitrile (PubChem CID 65376622) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-[(2-methoxy-5-methylphenyl)methyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[(2-methoxy-5-methylphenyl)methyl]cyclobutane-1-carbonitrile
PubChem CID65376622
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-[(2-methoxy-5-methylphenyl)methyl]cyclobutane-1-carbonitrile
SMILESCOc1ccc(C)cc1CC1(C#N)CCC1
InChIInChI=1S/C14H17NO/c1-11-4-5-13(16-2)12(8-11)9-14(10-15)6-3-7-14/h4-5,8H,3,6-7,9H2,1-2H3
InChIKeyRQESVYHNJLJPCZ-UHFFFAOYSA-N
XLogP3.24
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-methoxy-5-methylphenyl)methyl]oxetane-3-carbonitrile
CID 116929919
1-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242207
1-[(4-methoxy-2,5-dimethylphenyl)methyl]cyclobutane-1-carbonitrile
CID 116929182
1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropane-1-carbonitrile
CID 116837091
1-[(5-chloro-4-methoxy-2-methylphenyl)methyl]cyclobutane-1-carbonitrile
CID 116929195
1-[(2-methoxy-5-methylphenyl)methyl]cyclopentan-1-ol
CID 62161336
1-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine
CID 55042036
1-[[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242577
1-[(2-methoxy-5-methylphenyl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65084029
1-[(3,4,5-trimethoxyphenyl)methyl]cyclobutane-1-carbonitrile
CID 116929250
N-[[1-[(2-methoxy-5-methylphenyl)methyl]cyclopropyl]methyl]ethanamine
CID 66025990
1-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentane-1-carbonitrile
CID 65377847

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-5-methylphenyl)methyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[(2-methoxy-5-methylphenyl)methyl]cyclobutane-1-carbonitrile (CID 65376622) is 1-[(2-methoxy-5-methylphenyl)methyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[(2-methoxy-5-methylphenyl)methyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[(2-methoxy-5-methylphenyl)methyl]cyclobutane-1-carbonitrile is COc1ccc(C)cc1CC1(C#N)CCC1.
What is the InChIKey of 1-[(2-methoxy-5-methylphenyl)methyl]cyclobutane-1-carbonitrile?
The InChIKey is RQESVYHNJLJPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-11-4-5-13(16-2)12(8-11)9-14(10-15)6-3-7-14/h4-5,8H,3,6-7,9H2,1-2H3.
What are the key properties of 1-[(2-methoxy-5-methylphenyl)methyl]cyclobutane-1-carbonitrile?
1-[(2-methoxy-5-methylphenyl)methyl]cyclobutane-1-carbonitrile has a molecular weight of 215.30 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-5-methylphenyl)methyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 65376622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).