(E)-3-naphthalen-1-yloxy-3-thiophen-2-ylprop-2-enal

C17H12O2S — CID 88858208

IUPAC(E)-3-naphthalen-1-yloxy-3-thiophen-2-ylprop-2-enal
SMILESO=C/C=C(/Oc1cccc2ccccc12)c1cccs1
InChIInChI=1S/C17H12O2S/c18-11-10-16(17-9-4-12-20-17)19-15-8-3-6-13-5-1-2-7-14(13)15/h1-12H/b16-10+
InChIKeyVFYNUXIZYGKSNM-MHWRWJLKSA-N
MW280.35 g/mol
LogP4.52
Rot. Bonds4

About (E)-3-naphthalen-1-yloxy-3-thiophen-2-ylprop-2-enal

(E)-3-naphthalen-1-yloxy-3-thiophen-2-ylprop-2-enal (PubChem CID 88858208) has the molecular formula C17H12O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is (E)-3-naphthalen-1-yloxy-3-thiophen-2-ylprop-2-enal.

Molecular Properties

Compound Name(E)-3-naphthalen-1-yloxy-3-thiophen-2-ylprop-2-enal
PubChem CID88858208
Molecular FormulaC17H12O2S
Molecular Weight280.35 g/mol
Exact Mass280.06
IUPAC Name(E)-3-naphthalen-1-yloxy-3-thiophen-2-ylprop-2-enal
SMILESO=C/C=C(/Oc1cccc2ccccc12)c1cccs1
InChIInChI=1S/C17H12O2S/c18-11-10-16(17-9-4-12-20-17)19-15-8-3-6-13-5-1-2-7-14(13)15/h1-12H/b16-10+
InChIKeyVFYNUXIZYGKSNM-MHWRWJLKSA-N
XLogP4.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-naphthalen-1-yloxy-3-thiophen-2-ylprop-2-enal?
The IUPAC name of (E)-3-naphthalen-1-yloxy-3-thiophen-2-ylprop-2-enal (CID 88858208) is (E)-3-naphthalen-1-yloxy-3-thiophen-2-ylprop-2-enal.
What is the SMILES notation for (E)-3-naphthalen-1-yloxy-3-thiophen-2-ylprop-2-enal?
The canonical SMILES for (E)-3-naphthalen-1-yloxy-3-thiophen-2-ylprop-2-enal is O=C/C=C(/Oc1cccc2ccccc12)c1cccs1.
What is the InChIKey of (E)-3-naphthalen-1-yloxy-3-thiophen-2-ylprop-2-enal?
The InChIKey is VFYNUXIZYGKSNM-MHWRWJLKSA-N. The full InChI is InChI=1S/C17H12O2S/c18-11-10-16(17-9-4-12-20-17)19-15-8-3-6-13-5-1-2-7-14(13)15/h1-12H/b16-10+.
What are the key properties of (E)-3-naphthalen-1-yloxy-3-thiophen-2-ylprop-2-enal?
(E)-3-naphthalen-1-yloxy-3-thiophen-2-ylprop-2-enal has a molecular weight of 280.35 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-naphthalen-1-yloxy-3-thiophen-2-ylprop-2-enal is sourced from PubChem (CID 88858208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).