(2-chloro-1-phenoxyprop-2-enyl) thiophene-2-carboxylate

C14H11ClO3S — CID 164853027

IUPAC(2-chloro-1-phenoxyprop-2-enyl) thiophene-2-carboxylate
SMILESC=C(Cl)C(OC(=O)c1cccs1)Oc1ccccc1
InChIInChI=1S/C14H11ClO3S/c1-10(15)14(17-11-6-3-2-4-7-11)18-13(16)12-8-5-9-19-12/h2-9,14H,1H2
InChIKeyPOTOYJIIXMWBHI-UHFFFAOYSA-N
MW294.76 g/mol
LogP4.06
Rot. Bonds5

About (2-chloro-1-phenoxyprop-2-enyl) thiophene-2-carboxylate

(2-chloro-1-phenoxyprop-2-enyl) thiophene-2-carboxylate (PubChem CID 164853027) has the molecular formula C14H11ClO3S and a molecular weight of 294.76 g/mol. Its IUPAC name is (2-chloro-1-phenoxyprop-2-enyl) thiophene-2-carboxylate.

Molecular Properties

Compound Name(2-chloro-1-phenoxyprop-2-enyl) thiophene-2-carboxylate
PubChem CID164853027
Molecular FormulaC14H11ClO3S
Molecular Weight294.76 g/mol
Exact Mass294.01
IUPAC Name(2-chloro-1-phenoxyprop-2-enyl) thiophene-2-carboxylate
SMILESC=C(Cl)C(OC(=O)c1cccs1)Oc1ccccc1
InChIInChI=1S/C14H11ClO3S/c1-10(15)14(17-11-6-3-2-4-7-11)18-13(16)12-8-5-9-19-12/h2-9,14H,1H2
InChIKeyPOTOYJIIXMWBHI-UHFFFAOYSA-N
XLogP4.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2-chloro-1-phenoxyprop-2-enyl) thiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-thiophen-2-ylprop-2-enoyl chloride
CID 22601205
phenyl thiophene-2-carboperoxoate
CID 91186228
(2-oxo-1-phenylpropyl) thiophene-2-carboxylate
CID 134968020
[(1S)-2-oxo-1,2-diphenylethyl] thiophene-2-carboxylate
CID 849635
1,3-diaminopropan-2-yl thiophene-2-carboxylate
CID 139769696
[4-(thiophene-2-carbonyloxy)phenyl] thiophene-2-carboxylate
CID 811680
[1-oxo-1-(4-phenoxyanilino)propan-2-yl] thiophene-2-carboxylate
CID 4597020
benzoyl thiophene-2-carboxylate
CID 174319053
[1,2-diphenyl-2-(thiophene-2-carbonyloxy)ethenyl] thiophene-2-carboxylate
CID 140844707
1-aminopropan-2-yl thiophene-2-carboxylate
CID 175287982
(1-oxo-1-phenylpentan-2-yl) thiophene-2-carboxylate
CID 175494828
CID 172994739
CID 172994739

Frequently Asked Questions

What is the IUPAC name of (2-chloro-1-phenoxyprop-2-enyl) thiophene-2-carboxylate?
The IUPAC name of (2-chloro-1-phenoxyprop-2-enyl) thiophene-2-carboxylate (CID 164853027) is (2-chloro-1-phenoxyprop-2-enyl) thiophene-2-carboxylate.
What is the SMILES notation for (2-chloro-1-phenoxyprop-2-enyl) thiophene-2-carboxylate?
The canonical SMILES for (2-chloro-1-phenoxyprop-2-enyl) thiophene-2-carboxylate is C=C(Cl)C(OC(=O)c1cccs1)Oc1ccccc1.
What is the InChIKey of (2-chloro-1-phenoxyprop-2-enyl) thiophene-2-carboxylate?
The InChIKey is POTOYJIIXMWBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO3S/c1-10(15)14(17-11-6-3-2-4-7-11)18-13(16)12-8-5-9-19-12/h2-9,14H,1H2.
What are the key properties of (2-chloro-1-phenoxyprop-2-enyl) thiophene-2-carboxylate?
(2-chloro-1-phenoxyprop-2-enyl) thiophene-2-carboxylate has a molecular weight of 294.76 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-1-phenoxyprop-2-enyl) thiophene-2-carboxylate is sourced from PubChem (CID 164853027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).