4-ethyl-1-(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)cyclohexane-1-carbonitrile

C19H25NO — CID 79115229

IUPAC4-ethyl-1-(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)(C2(O)CCCc3ccccc32)CC1
InChIInChI=1S/C19H25NO/c1-2-15-9-12-18(14-20,13-10-15)19(21)11-5-7-16-6-3-4-8-17(16)19/h3-4,6,8,15,21H,2,5,7,9-13H2,1H3
InChIKeyNWQHWFMBBSDIPG-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.32
Rot. Bonds2

About 4-ethyl-1-(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)cyclohexane-1-carbonitrile

4-ethyl-1-(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)cyclohexane-1-carbonitrile (PubChem CID 79115229) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is 4-ethyl-1-(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-ethyl-1-(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)cyclohexane-1-carbonitrile
PubChem CID79115229
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name4-ethyl-1-(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)(C2(O)CCCc3ccccc32)CC1
InChIInChI=1S/C19H25NO/c1-2-15-9-12-18(14-20,13-10-15)19(21)11-5-7-16-6-3-4-8-17(16)19/h3-4,6,8,15,21H,2,5,7,9-13H2,1H3
InChIKeyNWQHWFMBBSDIPG-UHFFFAOYSA-N
XLogP4.32
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)cyclohexane-1-carbonitrile?
The IUPAC name of 4-ethyl-1-(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)cyclohexane-1-carbonitrile (CID 79115229) is 4-ethyl-1-(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-ethyl-1-(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)cyclohexane-1-carbonitrile?
The canonical SMILES for 4-ethyl-1-(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)cyclohexane-1-carbonitrile is CCC1CCC(C#N)(C2(O)CCCc3ccccc32)CC1.
What is the InChIKey of 4-ethyl-1-(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)cyclohexane-1-carbonitrile?
The InChIKey is NWQHWFMBBSDIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-2-15-9-12-18(14-20,13-10-15)19(21)11-5-7-16-6-3-4-8-17(16)19/h3-4,6,8,15,21H,2,5,7,9-13H2,1H3.
What are the key properties of 4-ethyl-1-(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)cyclohexane-1-carbonitrile?
4-ethyl-1-(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)cyclohexane-1-carbonitrile has a molecular weight of 283.41 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 79115229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).