(E)-2-phenyl-3-thiophen-2-ylprop-2-enal

C13H10OS — CID 10584747

IUPAC(E)-2-phenyl-3-thiophen-2-ylprop-2-enal
SMILESO=C/C(=C/c1cccs1)c1ccccc1
InChIInChI=1S/C13H10OS/c14-10-12(9-13-7-4-8-15-13)11-5-2-1-3-6-11/h1-10H/b12-9-
InChIKeyGWHZQCKKVIHXLN-XFXZXTDPSA-N
MW214.29 g/mol
LogP3.49
Rot. Bonds3

About (E)-2-phenyl-3-thiophen-2-ylprop-2-enal

(E)-2-phenyl-3-thiophen-2-ylprop-2-enal (PubChem CID 10584747) has the molecular formula C13H10OS and a molecular weight of 214.29 g/mol. Its IUPAC name is (E)-2-phenyl-3-thiophen-2-ylprop-2-enal.

Molecular Properties

Compound Name(E)-2-phenyl-3-thiophen-2-ylprop-2-enal
PubChem CID10584747
Molecular FormulaC13H10OS
Molecular Weight214.29 g/mol
Exact Mass214.05
IUPAC Name(E)-2-phenyl-3-thiophen-2-ylprop-2-enal
SMILESO=C/C(=C/c1cccs1)c1ccccc1
InChIInChI=1S/C13H10OS/c14-10-12(9-13-7-4-8-15-13)11-5-2-1-3-6-11/h1-10H/b12-9-
InChIKeyGWHZQCKKVIHXLN-XFXZXTDPSA-N
XLogP3.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-1-phenyl-2-thiophen-2-ylethenyl]thiophene
CID 102409293
(E)-N-hydroxy-2-phenyl-3-thiophen-2-ylprop-2-enamide
CID 11379581
2-(thiophen-2-ylmethylidene)propanedioic acid
CID 4714957
methyl 2-phenyl-3-thiophen-2-ylprop-2-enoate
CID 2764285
(E)-3-(5-nitrothiophen-2-yl)-2-phenylprop-2-enal
CID 88837200
2-(thiophen-2-ylmethylidene)butanal
CID 79001686
(E)-2-chloro-3-thiophen-2-ylprop-2-enoic acid
CID 88503797
(E)-2-amino-3-thiophen-2-ylprop-2-enoic acid
CID 104830865
(2E)-3-methyl-2-(thiophen-2-ylmethylidene)but-3-enal
CID 10749828
3-chloro-2-phenylprop-2-enal
CID 85438099
2-phenylbut-2-enal;hydrate
CID 172778769
3-chloro-2-phenyl-3-thiophen-2-ylprop-2-enal
CID 142762455

Frequently Asked Questions

What is the IUPAC name of (E)-2-phenyl-3-thiophen-2-ylprop-2-enal?
The IUPAC name of (E)-2-phenyl-3-thiophen-2-ylprop-2-enal (CID 10584747) is (E)-2-phenyl-3-thiophen-2-ylprop-2-enal.
What is the SMILES notation for (E)-2-phenyl-3-thiophen-2-ylprop-2-enal?
The canonical SMILES for (E)-2-phenyl-3-thiophen-2-ylprop-2-enal is O=C/C(=C/c1cccs1)c1ccccc1.
What is the InChIKey of (E)-2-phenyl-3-thiophen-2-ylprop-2-enal?
The InChIKey is GWHZQCKKVIHXLN-XFXZXTDPSA-N. The full InChI is InChI=1S/C13H10OS/c14-10-12(9-13-7-4-8-15-13)11-5-2-1-3-6-11/h1-10H/b12-9-.
What are the key properties of (E)-2-phenyl-3-thiophen-2-ylprop-2-enal?
(E)-2-phenyl-3-thiophen-2-ylprop-2-enal has a molecular weight of 214.29 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-phenyl-3-thiophen-2-ylprop-2-enal is sourced from PubChem (CID 10584747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).