naphthalen-2-yl (E)-3-thiophen-2-ylprop-2-enoate

C17H12O2S — CID 8886119

IUPACnaphthalen-2-yl (E)-3-thiophen-2-ylprop-2-enoate
SMILESO=C(/C=C/c1cccs1)Oc1ccc2ccccc2c1
InChIInChI=1S/C17H12O2S/c18-17(10-9-16-6-3-11-20-16)19-15-8-7-13-4-1-2-5-14(13)12-15/h1-12H/b10-9+
InChIKeyRTOKCWGLFSPOOJ-MDZDMXLPSA-N
MW280.35 g/mol
LogP4.52
Rot. Bonds3

About naphthalen-2-yl (E)-3-thiophen-2-ylprop-2-enoate

naphthalen-2-yl (E)-3-thiophen-2-ylprop-2-enoate (PubChem CID 8886119) has the molecular formula C17H12O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is naphthalen-2-yl (E)-3-thiophen-2-ylprop-2-enoate.

Molecular Properties

Compound Namenaphthalen-2-yl (E)-3-thiophen-2-ylprop-2-enoate
PubChem CID8886119
Molecular FormulaC17H12O2S
Molecular Weight280.35 g/mol
Exact Mass280.06
IUPAC Namenaphthalen-2-yl (E)-3-thiophen-2-ylprop-2-enoate
SMILESO=C(/C=C/c1cccs1)Oc1ccc2ccccc2c1
InChIInChI=1S/C17H12O2S/c18-17(10-9-16-6-3-11-20-16)19-15-8-7-13-4-1-2-5-14(13)12-15/h1-12H/b10-9+
InChIKeyRTOKCWGLFSPOOJ-MDZDMXLPSA-N
XLogP4.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl) (E)-3-thiophen-2-ylprop-2-enoate
CID 137442894
(4-methylphenyl) 3-thiophen-2-ylprop-2-enoate
CID 4202391
(3-acetylphenyl) (E)-3-thiophen-2-ylprop-2-enoate
CID 8840192
[(E)-3-thiophen-2-ylprop-2-enoyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 100994517
N-naphthalen-2-yl-3-thiophen-2-ylprop-2-enamide
CID 3594199
(2-methylphenyl) 3-thiophen-2-ylprop-2-enoate
CID 3428399
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) (E)-3-thiophen-2-ylprop-2-enoate
CID 18209686
(Z)-1-(6-methoxynaphthalen-2-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 92909536
(2-oxo-4-propylchromen-7-yl) 3-thiophen-2-ylprop-2-enoate
CID 2730624
[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 3-thiophen-2-ylprop-2-enoate
CID 4813559
(2-butan-2-ylphenyl) (E)-3-thiophen-2-ylprop-2-enoate
CID 6276153
(E)-3-thiophen-2-ylprop-2-enoic acid;hydrochloride
CID 88528301

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl (E)-3-thiophen-2-ylprop-2-enoate?
The IUPAC name of naphthalen-2-yl (E)-3-thiophen-2-ylprop-2-enoate (CID 8886119) is naphthalen-2-yl (E)-3-thiophen-2-ylprop-2-enoate.
What is the SMILES notation for naphthalen-2-yl (E)-3-thiophen-2-ylprop-2-enoate?
The canonical SMILES for naphthalen-2-yl (E)-3-thiophen-2-ylprop-2-enoate is O=C(/C=C/c1cccs1)Oc1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-yl (E)-3-thiophen-2-ylprop-2-enoate?
The InChIKey is RTOKCWGLFSPOOJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H12O2S/c18-17(10-9-16-6-3-11-20-16)19-15-8-7-13-4-1-2-5-14(13)12-15/h1-12H/b10-9+.
What are the key properties of naphthalen-2-yl (E)-3-thiophen-2-ylprop-2-enoate?
naphthalen-2-yl (E)-3-thiophen-2-ylprop-2-enoate has a molecular weight of 280.35 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl (E)-3-thiophen-2-ylprop-2-enoate is sourced from PubChem (CID 8886119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).