bis[2-(2-cyanophenyl)ethyl] carbonate

C19H16N2O3 — CID 67184328

IUPACbis[2-(2-cyanophenyl)ethyl] carbonate
SMILESN#Cc1ccccc1CCOC(=O)OCCc1ccccc1C#N
InChIInChI=1S/C19H16N2O3/c20-13-17-7-3-1-5-15(17)9-11-23-19(22)24-12-10-16-6-2-4-8-18(16)14-21/h1-8H,9-12H2
InChIKeyYRZOSQSAMHKQKW-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.37
Rot. Bonds6

About bis[2-(2-cyanophenyl)ethyl] carbonate

bis[2-(2-cyanophenyl)ethyl] carbonate (PubChem CID 67184328) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is bis[2-(2-cyanophenyl)ethyl] carbonate.

Molecular Properties

Compound Namebis[2-(2-cyanophenyl)ethyl] carbonate
PubChem CID67184328
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Namebis[2-(2-cyanophenyl)ethyl] carbonate
SMILESN#Cc1ccccc1CCOC(=O)OCCc1ccccc1C#N
InChIInChI=1S/C19H16N2O3/c20-13-17-7-3-1-5-15(17)9-11-23-19(22)24-12-10-16-6-2-4-8-18(16)14-21/h1-8H,9-12H2
InChIKeyYRZOSQSAMHKQKW-UHFFFAOYSA-N
XLogP3.37
TPSA83.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis[2-(2-cyanophenyl)ethyl] carbonate?
The IUPAC name of bis[2-(2-cyanophenyl)ethyl] carbonate (CID 67184328) is bis[2-(2-cyanophenyl)ethyl] carbonate.
What is the SMILES notation for bis[2-(2-cyanophenyl)ethyl] carbonate?
The canonical SMILES for bis[2-(2-cyanophenyl)ethyl] carbonate is N#Cc1ccccc1CCOC(=O)OCCc1ccccc1C#N.
What is the InChIKey of bis[2-(2-cyanophenyl)ethyl] carbonate?
The InChIKey is YRZOSQSAMHKQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c20-13-17-7-3-1-5-15(17)9-11-23-19(22)24-12-10-16-6-2-4-8-18(16)14-21/h1-8H,9-12H2.
What are the key properties of bis[2-(2-cyanophenyl)ethyl] carbonate?
bis[2-(2-cyanophenyl)ethyl] carbonate has a molecular weight of 320.35 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(2-cyanophenyl)ethyl] carbonate is sourced from PubChem (CID 67184328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).