(E)-1-naphthalen-2-yl-3-thiophen-2-ylprop-2-en-1-one

C17H12OS — CID 5377660

IUPAC(E)-1-naphthalen-2-yl-3-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccs1)c1ccc2ccccc2c1
InChIInChI=1S/C17H12OS/c18-17(10-9-16-6-3-11-19-16)15-8-7-13-4-1-2-5-14(13)12-15/h1-12H/b10-9+
InChIKeyLAPXFVWYPUWTMF-MDZDMXLPSA-N
MW264.35 g/mol
LogP4.80
Rot. Bonds3

About (E)-1-naphthalen-2-yl-3-thiophen-2-ylprop-2-en-1-one

(E)-1-naphthalen-2-yl-3-thiophen-2-ylprop-2-en-1-one (PubChem CID 5377660) has the molecular formula C17H12OS and a molecular weight of 264.35 g/mol. Its IUPAC name is (E)-1-naphthalen-2-yl-3-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-naphthalen-2-yl-3-thiophen-2-ylprop-2-en-1-one
PubChem CID5377660
Molecular FormulaC17H12OS
Molecular Weight264.35 g/mol
Exact Mass264.06
IUPAC Name(E)-1-naphthalen-2-yl-3-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccs1)c1ccc2ccccc2c1
InChIInChI=1S/C17H12OS/c18-17(10-9-16-6-3-11-19-16)15-8-7-13-4-1-2-5-14(13)12-15/h1-12H/b10-9+
InChIKeyLAPXFVWYPUWTMF-MDZDMXLPSA-N
XLogP4.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-naphthalen-2-yl-3-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-1-naphthalen-2-yl-3-thiophen-2-ylprop-2-en-1-one (CID 5377660) is (E)-1-naphthalen-2-yl-3-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-naphthalen-2-yl-3-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-naphthalen-2-yl-3-thiophen-2-ylprop-2-en-1-one is O=C(/C=C/c1cccs1)c1ccc2ccccc2c1.
What is the InChIKey of (E)-1-naphthalen-2-yl-3-thiophen-2-ylprop-2-en-1-one?
The InChIKey is LAPXFVWYPUWTMF-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H12OS/c18-17(10-9-16-6-3-11-19-16)15-8-7-13-4-1-2-5-14(13)12-15/h1-12H/b10-9+.
What are the key properties of (E)-1-naphthalen-2-yl-3-thiophen-2-ylprop-2-en-1-one?
(E)-1-naphthalen-2-yl-3-thiophen-2-ylprop-2-en-1-one has a molecular weight of 264.35 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-naphthalen-2-yl-3-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 5377660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).