(2-naphthalen-2-yl-2-oxoethyl) thiophene-2-carboxylate

C17H12O3S — CID 902704

IUPAC(2-naphthalen-2-yl-2-oxoethyl) thiophene-2-carboxylate
SMILESO=C(COC(=O)c1cccs1)c1ccc2ccccc2c1
InChIInChI=1S/C17H12O3S/c18-15(11-20-17(19)16-6-3-9-21-16)14-8-7-12-4-1-2-5-13(12)10-14/h1-10H,11H2
InChIKeyPNWPVJRAOUNGON-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.94
Rot. Bonds4

About (2-naphthalen-2-yl-2-oxoethyl) thiophene-2-carboxylate

(2-naphthalen-2-yl-2-oxoethyl) thiophene-2-carboxylate (PubChem CID 902704) has the molecular formula C17H12O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is (2-naphthalen-2-yl-2-oxoethyl) thiophene-2-carboxylate.

Molecular Properties

Compound Name(2-naphthalen-2-yl-2-oxoethyl) thiophene-2-carboxylate
PubChem CID902704
Molecular FormulaC17H12O3S
Molecular Weight296.35 g/mol
Exact Mass296.05
IUPAC Name(2-naphthalen-2-yl-2-oxoethyl) thiophene-2-carboxylate
SMILESO=C(COC(=O)c1cccs1)c1ccc2ccccc2c1
InChIInChI=1S/C17H12O3S/c18-15(11-20-17(19)16-6-3-9-21-16)14-8-7-12-4-1-2-5-13(12)10-14/h1-10H,11H2
InChIKeyPNWPVJRAOUNGON-UHFFFAOYSA-N
XLogP3.94
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-naphthalen-2-yl-2-oxoethyl) thiophene-2-carboxylate?
The IUPAC name of (2-naphthalen-2-yl-2-oxoethyl) thiophene-2-carboxylate (CID 902704) is (2-naphthalen-2-yl-2-oxoethyl) thiophene-2-carboxylate.
What is the SMILES notation for (2-naphthalen-2-yl-2-oxoethyl) thiophene-2-carboxylate?
The canonical SMILES for (2-naphthalen-2-yl-2-oxoethyl) thiophene-2-carboxylate is O=C(COC(=O)c1cccs1)c1ccc2ccccc2c1.
What is the InChIKey of (2-naphthalen-2-yl-2-oxoethyl) thiophene-2-carboxylate?
The InChIKey is PNWPVJRAOUNGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O3S/c18-15(11-20-17(19)16-6-3-9-21-16)14-8-7-12-4-1-2-5-13(12)10-14/h1-10H,11H2.
What are the key properties of (2-naphthalen-2-yl-2-oxoethyl) thiophene-2-carboxylate?
(2-naphthalen-2-yl-2-oxoethyl) thiophene-2-carboxylate has a molecular weight of 296.35 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-naphthalen-2-yl-2-oxoethyl) thiophene-2-carboxylate is sourced from PubChem (CID 902704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).