2-phenyl-1-thiophen-2-ylprop-2-en-1-one

C13H10OS — CID 3007406

IUPAC2-phenyl-1-thiophen-2-ylprop-2-en-1-one
SMILESC=C(C(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C13H10OS/c1-10(11-6-3-2-4-7-11)13(14)12-8-5-9-15-12/h2-9H,1H2
InChIKeySYULNVQABCAECY-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.64
Rot. Bonds3

About 2-phenyl-1-thiophen-2-ylprop-2-en-1-one

2-phenyl-1-thiophen-2-ylprop-2-en-1-one (PubChem CID 3007406) has the molecular formula C13H10OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-phenyl-1-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name2-phenyl-1-thiophen-2-ylprop-2-en-1-one
PubChem CID3007406
Molecular FormulaC13H10OS
Molecular Weight214.29 g/mol
Exact Mass214.05
IUPAC Name2-phenyl-1-thiophen-2-ylprop-2-en-1-one
SMILESC=C(C(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C13H10OS/c1-10(11-6-3-2-4-7-11)13(14)12-8-5-9-15-12/h2-9H,1H2
InChIKeySYULNVQABCAECY-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
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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Related Compounds

1-phenyl-2-thiophen-2-ylethane-1,2-dione
CID 2175267
2-thiophen-2-ylprop-2-enoyl chloride
CID 22601205
N'-(1-phenylethenyl)thiophene-2-carbohydrazide
CID 2715132
benzamide;thiophene-2-carboxamide
CID 174752818
2-[(E)-1,2-diphenyl-2-thiophen-2-ylethenyl]thiophene
CID 10688838
formaldehyde;thiophene-2-carboxylic acid
CID 158716916
ethene;2-(1-thiophen-2-ylethenyl)thiophene
CID 174797517
benzoyl thiophene-2-carboxylate
CID 174319053
[1,2-diphenyl-2-(thiophene-2-carbonyloxy)ethenyl] thiophene-2-carboxylate
CID 140844707
benzoic acid;ethane;1-thiophen-2-ylethanone
CID 158279091
CID 11204853
CID 11204853
thiophene-2-carboxylic acid;dihydrochloride
CID 142681507

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of 2-phenyl-1-thiophen-2-ylprop-2-en-1-one (CID 3007406) is 2-phenyl-1-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for 2-phenyl-1-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for 2-phenyl-1-thiophen-2-ylprop-2-en-1-one is C=C(C(=O)c1cccs1)c1ccccc1.
What is the InChIKey of 2-phenyl-1-thiophen-2-ylprop-2-en-1-one?
The InChIKey is SYULNVQABCAECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10OS/c1-10(11-6-3-2-4-7-11)13(14)12-8-5-9-15-12/h2-9H,1H2.
What are the key properties of 2-phenyl-1-thiophen-2-ylprop-2-en-1-one?
2-phenyl-1-thiophen-2-ylprop-2-en-1-one has a molecular weight of 214.29 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 3007406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).