2-naphthalen-1-ylethyl 4-cyanobenzoate

C20H15NO2 — CID 10518392

IUPAC2-naphthalen-1-ylethyl 4-cyanobenzoate
SMILESN#Cc1ccc(C(=O)OCCc2cccc3ccccc23)cc1
InChIInChI=1S/C20H15NO2/c21-14-15-8-10-18(11-9-15)20(22)23-13-12-17-6-3-5-16-4-1-2-7-19(16)17/h1-11H,12-13H2
InChIKeyQOEQIGGDJVZKCH-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.11
Rot. Bonds4

About 2-naphthalen-1-ylethyl 4-cyanobenzoate

2-naphthalen-1-ylethyl 4-cyanobenzoate (PubChem CID 10518392) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-naphthalen-1-ylethyl 4-cyanobenzoate.

Molecular Properties

Compound Name2-naphthalen-1-ylethyl 4-cyanobenzoate
PubChem CID10518392
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Name2-naphthalen-1-ylethyl 4-cyanobenzoate
SMILESN#Cc1ccc(C(=O)OCCc2cccc3ccccc23)cc1
InChIInChI=1S/C20H15NO2/c21-14-15-8-10-18(11-9-15)20(22)23-13-12-17-6-3-5-16-4-1-2-7-19(16)17/h1-11H,12-13H2
InChIKeyQOEQIGGDJVZKCH-UHFFFAOYSA-N
XLogP4.11
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-1-ylethyl acetate
CID 592920
cyanomethyl 4-cyanobenzoate
CID 147259846
11-bromoundecyl 4-cyanobenzoate
CID 56605379
pentyl 4-cyanobenzoate
CID 531615
ethyl 4-(azanylidyne(113C)methyl)benzoate
CID 10442221
2-naphthalen-1-ylethyl quinoline-4-carboxylate
CID 127257422
11-sulfanylundecyl 4-cyanobenzoate
CID 56605381
2-naphthalen-1-ylethanol;2-naphthalen-1-ylethyl acetate
CID 158105320
phenylsulfanylmethyl 4-cyanobenzoate
CID 102471740
[1-[2-(4-hydroxybenzoyl)oxynaphthalen-1-yl]naphthalen-2-yl] 4-cyanobenzoate
CID 118029965
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-cyanobenzoate
CID 8018219
4-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-carbonyl]benzonitrile
CID 9397229

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-ylethyl 4-cyanobenzoate?
The IUPAC name of 2-naphthalen-1-ylethyl 4-cyanobenzoate (CID 10518392) is 2-naphthalen-1-ylethyl 4-cyanobenzoate.
What is the SMILES notation for 2-naphthalen-1-ylethyl 4-cyanobenzoate?
The canonical SMILES for 2-naphthalen-1-ylethyl 4-cyanobenzoate is N#Cc1ccc(C(=O)OCCc2cccc3ccccc23)cc1.
What is the InChIKey of 2-naphthalen-1-ylethyl 4-cyanobenzoate?
The InChIKey is QOEQIGGDJVZKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2/c21-14-15-8-10-18(11-9-15)20(22)23-13-12-17-6-3-5-16-4-1-2-7-19(16)17/h1-11H,12-13H2.
What are the key properties of 2-naphthalen-1-ylethyl 4-cyanobenzoate?
2-naphthalen-1-ylethyl 4-cyanobenzoate has a molecular weight of 301.35 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-ylethyl 4-cyanobenzoate is sourced from PubChem (CID 10518392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).