1-(2-methoxy-5-methylphenyl)cyclohexane-1-carbonitrile

C15H19NO — CID 28937677

IUPAC1-(2-methoxy-5-methylphenyl)cyclohexane-1-carbonitrile
SMILESCOc1ccc(C)cc1C1(C#N)CCCCC1
InChIInChI=1S/C15H19NO/c1-12-6-7-14(17-2)13(10-12)15(11-16)8-4-3-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyUXWIGVXKFUYVCJ-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.73
Rot. Bonds2

About 1-(2-methoxy-5-methylphenyl)cyclohexane-1-carbonitrile

1-(2-methoxy-5-methylphenyl)cyclohexane-1-carbonitrile (PubChem CID 28937677) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)cyclohexane-1-carbonitrile
PubChem CID28937677
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-(2-methoxy-5-methylphenyl)cyclohexane-1-carbonitrile
SMILESCOc1ccc(C)cc1C1(C#N)CCCCC1
InChIInChI=1S/C15H19NO/c1-12-6-7-14(17-2)13(10-12)15(11-16)8-4-3-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyUXWIGVXKFUYVCJ-UHFFFAOYSA-N
XLogP3.73
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-5-methylphenyl)cyclopropane-1-carbonitrile
CID 43119027
3-(1-cyanocyclobutyl)-4-methoxybenzamide
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1-(3-bromo-4-methoxy-2-methylphenyl)cyclobutane-1-carbonitrile
CID 84811736
2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid
CID 82090822
2-ethyl-2-(2-methoxy-5-methylphenyl)azepane
CID 79117416
2-(5-chloro-2-methoxyphenyl)spiro[3.3]heptane-2-carbonitrile
CID 65009591
2-[1-(2-methoxy-5-methylphenyl)cyclopentyl]ethanamine
CID 82082897
1-[1-(2-methoxy-5-methylphenyl)cyclopentyl]-N-methylmethanamine
CID 62596778
2-(2-methoxy-5-methylphenyl)-2-methylpyrrolidine
CID 66467357
1-[(2-methoxy-5-methylphenyl)methyl]cyclobutane-1-carbonitrile
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CID 63587735

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)cyclohexane-1-carbonitrile (CID 28937677) is 1-(2-methoxy-5-methylphenyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)cyclohexane-1-carbonitrile is COc1ccc(C)cc1C1(C#N)CCCCC1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)cyclohexane-1-carbonitrile?
The InChIKey is UXWIGVXKFUYVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-12-6-7-14(17-2)13(10-12)15(11-16)8-4-3-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)cyclohexane-1-carbonitrile?
1-(2-methoxy-5-methylphenyl)cyclohexane-1-carbonitrile has a molecular weight of 229.32 g/mol, XLogP of 3.73, 2 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)cyclohexane-1-carbonitrile is sourced from PubChem (CID 28937677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).