3-(2-thiophen-2-ylphenyl)prop-2-enoyl chloride

C13H9ClOS — CID 141308335

IUPAC3-(2-thiophen-2-ylphenyl)prop-2-enoyl chloride
SMILESO=C(Cl)C=Cc1ccccc1-c1cccs1
InChIInChI=1S/C13H9ClOS/c14-13(15)8-7-10-4-1-2-5-11(10)12-6-3-9-16-12/h1-9H
InChIKeyQOYAMTDMJCZGQL-UHFFFAOYSA-N
MW248.73 g/mol
LogP4.19
Rot. Bonds3

About 3-(2-thiophen-2-ylphenyl)prop-2-enoyl chloride

3-(2-thiophen-2-ylphenyl)prop-2-enoyl chloride (PubChem CID 141308335) has the molecular formula C13H9ClOS and a molecular weight of 248.73 g/mol. Its IUPAC name is 3-(2-thiophen-2-ylphenyl)prop-2-enoyl chloride.

Molecular Properties

Compound Name3-(2-thiophen-2-ylphenyl)prop-2-enoyl chloride
PubChem CID141308335
Molecular FormulaC13H9ClOS
Molecular Weight248.73 g/mol
Exact Mass248.01
IUPAC Name3-(2-thiophen-2-ylphenyl)prop-2-enoyl chloride
SMILESO=C(Cl)C=Cc1ccccc1-c1cccs1
InChIInChI=1S/C13H9ClOS/c14-13(15)8-7-10-4-1-2-5-11(10)12-6-3-9-16-12/h1-9H
InChIKeyQOYAMTDMJCZGQL-UHFFFAOYSA-N
XLogP4.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-hydroxyphenyl)phenyl]prop-2-enoyl chloride
CID 142709979
1-[4-(3-bromopropoxy)phenyl]-3-(2-thiophen-2-ylphenyl)prop-2-en-1-one
CID 168869917
2-[(E)-3-chloro-3-oxoprop-1-enyl]benzoyl chloride
CID 131850144
3-[2-(dimethylamino)phenyl]prop-2-enoyl chloride
CID 57361561
2-hydroxy-3-thiophen-2-ylbenzaldehyde
CID 53220277
1-methyl-2-[2-(2-thiophen-2-ylphenyl)ethenyl]piperidine
CID 152666703
(E)-4-oxo-4-(2-thiophen-2-ylanilino)but-2-enoic acid
CID 54868450
2-thiophen-2-ylcyclohepta-2,4,6-trien-1-one
CID 142643105
N-oxo-2-thiophen-2-ylbenzamide
CID 134287051
(E)-3-(5-bromothiophen-2-yl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide
CID 24568053
(E)-3-(2-hydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one
CID 5387158
(E)-3-(3,4-dichlorophenyl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide
CID 16577559

Frequently Asked Questions

What is the IUPAC name of 3-(2-thiophen-2-ylphenyl)prop-2-enoyl chloride?
The IUPAC name of 3-(2-thiophen-2-ylphenyl)prop-2-enoyl chloride (CID 141308335) is 3-(2-thiophen-2-ylphenyl)prop-2-enoyl chloride.
What is the SMILES notation for 3-(2-thiophen-2-ylphenyl)prop-2-enoyl chloride?
The canonical SMILES for 3-(2-thiophen-2-ylphenyl)prop-2-enoyl chloride is O=C(Cl)C=Cc1ccccc1-c1cccs1.
What is the InChIKey of 3-(2-thiophen-2-ylphenyl)prop-2-enoyl chloride?
The InChIKey is QOYAMTDMJCZGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClOS/c14-13(15)8-7-10-4-1-2-5-11(10)12-6-3-9-16-12/h1-9H.
What are the key properties of 3-(2-thiophen-2-ylphenyl)prop-2-enoyl chloride?
3-(2-thiophen-2-ylphenyl)prop-2-enoyl chloride has a molecular weight of 248.73 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-thiophen-2-ylphenyl)prop-2-enoyl chloride is sourced from PubChem (CID 141308335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).