(2-cyanophenyl) 2-naphthalen-1-ylacetate

C19H13NO2 — CID 7934938

IUPAC(2-cyanophenyl) 2-naphthalen-1-ylacetate
SMILESN#Cc1ccccc1OC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C19H13NO2/c20-13-16-7-2-4-11-18(16)22-19(21)12-15-9-5-8-14-6-1-3-10-17(14)15/h1-11H,12H2
InChIKeySNOUNPNZVBXKAA-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.86
Rot. Bonds3

About (2-cyanophenyl) 2-naphthalen-1-ylacetate

(2-cyanophenyl) 2-naphthalen-1-ylacetate (PubChem CID 7934938) has the molecular formula C19H13NO2 and a molecular weight of 287.32 g/mol. Its IUPAC name is (2-cyanophenyl) 2-naphthalen-1-ylacetate.

Molecular Properties

Compound Name(2-cyanophenyl) 2-naphthalen-1-ylacetate
PubChem CID7934938
Molecular FormulaC19H13NO2
Molecular Weight287.32 g/mol
Exact Mass287.09
IUPAC Name(2-cyanophenyl) 2-naphthalen-1-ylacetate
SMILESN#Cc1ccccc1OC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C19H13NO2/c20-13-16-7-2-4-11-18(16)22-19(21)12-15-9-5-8-14-6-1-3-10-17(14)15/h1-11H,12H2
InChIKeySNOUNPNZVBXKAA-UHFFFAOYSA-N
XLogP3.86
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-cyanophenyl) 2-naphthalen-1-ylacetate?
The IUPAC name of (2-cyanophenyl) 2-naphthalen-1-ylacetate (CID 7934938) is (2-cyanophenyl) 2-naphthalen-1-ylacetate.
What is the SMILES notation for (2-cyanophenyl) 2-naphthalen-1-ylacetate?
The canonical SMILES for (2-cyanophenyl) 2-naphthalen-1-ylacetate is N#Cc1ccccc1OC(=O)Cc1cccc2ccccc12.
What is the InChIKey of (2-cyanophenyl) 2-naphthalen-1-ylacetate?
The InChIKey is SNOUNPNZVBXKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO2/c20-13-16-7-2-4-11-18(16)22-19(21)12-15-9-5-8-14-6-1-3-10-17(14)15/h1-11H,12H2.
What are the key properties of (2-cyanophenyl) 2-naphthalen-1-ylacetate?
(2-cyanophenyl) 2-naphthalen-1-ylacetate has a molecular weight of 287.32 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyanophenyl) 2-naphthalen-1-ylacetate is sourced from PubChem (CID 7934938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).