2-(4-methylcyclohexyl)oxynaphthalene-1-carbonitrile

C18H19NO — CID 141397913

IUPAC2-(4-methylcyclohexyl)oxynaphthalene-1-carbonitrile
SMILESCC1CCC(Oc2ccc3ccccc3c2C#N)CC1
InChIInChI=1S/C18H19NO/c1-13-6-9-15(10-7-13)20-18-11-8-14-4-2-3-5-16(14)17(18)12-19/h2-5,8,11,13,15H,6-7,9-10H2,1H3
InChIKeyZVLSMXZPJDLJTC-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.67
Rot. Bonds2

About 2-(4-methylcyclohexyl)oxynaphthalene-1-carbonitrile

2-(4-methylcyclohexyl)oxynaphthalene-1-carbonitrile (PubChem CID 141397913) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)oxynaphthalene-1-carbonitrile.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)oxynaphthalene-1-carbonitrile
PubChem CID141397913
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name2-(4-methylcyclohexyl)oxynaphthalene-1-carbonitrile
SMILESCC1CCC(Oc2ccc3ccccc3c2C#N)CC1
InChIInChI=1S/C18H19NO/c1-13-6-9-15(10-7-13)20-18-11-8-14-4-2-3-5-16(14)17(18)12-19/h2-5,8,11,13,15H,6-7,9-10H2,1H3
InChIKeyZVLSMXZPJDLJTC-UHFFFAOYSA-N
XLogP4.67
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-(aminomethyl)-2-(4-methylcyclohexyl)oxynaphthalene-1-carbonitrile
CID 141401076
[2-(4-methylcyclohexyl)oxynaphthalen-1-yl]methanol
CID 64748926
2-hexoxynaphthalene-1-carbonitrile
CID 22685453
3-(2-cyclopentyloxynaphthalen-1-yl)prop-2-yn-1-amine
CID 61028513
2-(4-methylcyclohexyl)oxyquinoline-4-carbonitrile
CID 63886439
(1S)-1-[1-(4-methylcyclohexyl)oxynaphthalen-2-yl]ethanamine
CID 64747480
3-ethoxy-4-(4-methylcyclohexyl)oxybenzonitrile
CID 64749862
3-[2-(oxan-4-yloxy)naphthalen-1-yl]prop-2-yn-1-ol
CID 63937091
2-[2-(2-methoxyphenoxy)ethoxy]naphthalene-1-carbonitrile
CID 20994075
7-formyl-2-[4-(trifluoromethyl)cyclohexyl]oxynaphthalene-1-carbonitrile
CID 90027990
1-bromo-2-(4-ethylcyclohexyl)oxynaphthalene
CID 64747702
1-(bromomethyl)-2-(4-methylcyclohexyl)oxybenzene
CID 64747332

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)oxynaphthalene-1-carbonitrile?
The IUPAC name of 2-(4-methylcyclohexyl)oxynaphthalene-1-carbonitrile (CID 141397913) is 2-(4-methylcyclohexyl)oxynaphthalene-1-carbonitrile.
What is the SMILES notation for 2-(4-methylcyclohexyl)oxynaphthalene-1-carbonitrile?
The canonical SMILES for 2-(4-methylcyclohexyl)oxynaphthalene-1-carbonitrile is CC1CCC(Oc2ccc3ccccc3c2C#N)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)oxynaphthalene-1-carbonitrile?
The InChIKey is ZVLSMXZPJDLJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-13-6-9-15(10-7-13)20-18-11-8-14-4-2-3-5-16(14)17(18)12-19/h2-5,8,11,13,15H,6-7,9-10H2,1H3.
What are the key properties of 2-(4-methylcyclohexyl)oxynaphthalene-1-carbonitrile?
2-(4-methylcyclohexyl)oxynaphthalene-1-carbonitrile has a molecular weight of 265.36 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)oxynaphthalene-1-carbonitrile is sourced from PubChem (CID 141397913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).