4-ethyl-2-naphthalen-1-yloxycyclohexane-1-carbonitrile

C19H21NO — CID 43292392

IUPAC4-ethyl-2-naphthalen-1-yloxycyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(Oc2cccc3ccccc23)C1
InChIInChI=1S/C19H21NO/c1-2-14-10-11-16(13-20)19(12-14)21-18-9-5-7-15-6-3-4-8-17(15)18/h3-9,14,16,19H,2,10-12H2,1H3
InChIKeyGXJVDEMNKUOGMD-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.94
Rot. Bonds3

About 4-ethyl-2-naphthalen-1-yloxycyclohexane-1-carbonitrile

4-ethyl-2-naphthalen-1-yloxycyclohexane-1-carbonitrile (PubChem CID 43292392) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-ethyl-2-naphthalen-1-yloxycyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-ethyl-2-naphthalen-1-yloxycyclohexane-1-carbonitrile
PubChem CID43292392
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name4-ethyl-2-naphthalen-1-yloxycyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(Oc2cccc3ccccc23)C1
InChIInChI=1S/C19H21NO/c1-2-14-10-11-16(13-20)19(12-14)21-18-9-5-7-15-6-3-4-8-17(15)18/h3-9,14,16,19H,2,10-12H2,1H3
InChIKeyGXJVDEMNKUOGMD-UHFFFAOYSA-N
XLogP4.94
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-naphthalen-1-yloxycyclohexane-1-carbonitrile?
The IUPAC name of 4-ethyl-2-naphthalen-1-yloxycyclohexane-1-carbonitrile (CID 43292392) is 4-ethyl-2-naphthalen-1-yloxycyclohexane-1-carbonitrile.
What is the SMILES notation for 4-ethyl-2-naphthalen-1-yloxycyclohexane-1-carbonitrile?
The canonical SMILES for 4-ethyl-2-naphthalen-1-yloxycyclohexane-1-carbonitrile is CCC1CCC(C#N)C(Oc2cccc3ccccc23)C1.
What is the InChIKey of 4-ethyl-2-naphthalen-1-yloxycyclohexane-1-carbonitrile?
The InChIKey is GXJVDEMNKUOGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-2-14-10-11-16(13-20)19(12-14)21-18-9-5-7-15-6-3-4-8-17(15)18/h3-9,14,16,19H,2,10-12H2,1H3.
What are the key properties of 4-ethyl-2-naphthalen-1-yloxycyclohexane-1-carbonitrile?
4-ethyl-2-naphthalen-1-yloxycyclohexane-1-carbonitrile has a molecular weight of 279.38 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-naphthalen-1-yloxycyclohexane-1-carbonitrile is sourced from PubChem (CID 43292392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).