ethyl formate;2-(1-phenylethenyl)thiophene

C15H16O2S — CID 143321952

IUPACethyl formate;2-(1-phenylethenyl)thiophene
SMILESC=C(c1ccccc1)c1cccs1.CCOC=O
InChIInChI=1S/C12H10S.C3H6O2/c1-10(12-8-5-9-13-12)11-6-3-2-4-7-11;1-2-5-3-4/h2-9H,1H2;3H,2H2,1H3
InChIKeyVRBBDERUUYETAH-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.99
Rot. Bonds4

About ethyl formate;2-(1-phenylethenyl)thiophene

ethyl formate;2-(1-phenylethenyl)thiophene (PubChem CID 143321952) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is ethyl formate;2-(1-phenylethenyl)thiophene.

Molecular Properties

Compound Nameethyl formate;2-(1-phenylethenyl)thiophene
PubChem CID143321952
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Nameethyl formate;2-(1-phenylethenyl)thiophene
SMILESC=C(c1ccccc1)c1cccs1.CCOC=O
InChIInChI=1S/C12H10S.C3H6O2/c1-10(12-8-5-9-13-12)11-6-3-2-4-7-11;1-2-5-3-4/h2-9H,1H2;3H,2H2,1H3
InChIKeyVRBBDERUUYETAH-UHFFFAOYSA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl formate;2-(1-phenylethenyl)thiophene 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

benzoic acid;ethyl formate
CID 158867459
benzoic acid;ethyl formate;propanoic acid
CID 158740567
2-phenyl-1-thiophen-2-ylprop-2-en-1-one
CID 3007406
1-phenyl-2-thiophen-2-ylethane-1,2-dione
CID 2175267
(E)-3-ethoxy-1-thiophen-2-ylprop-2-en-1-one
CID 15669497
ethene;2-(1-thiophen-2-ylethenyl)thiophene
CID 174797517
benzoyl thiophene-2-carboxylate
CID 174319053
acetic acid;ethyl formate;toluene
CID 160542661
ethoxyethane;1-phenylethenylbenzene
CID 69353422
3-ethoxy-2-isocyano-1-thiophen-2-ylprop-2-en-1-one
CID 74005764
bromomethylbenzene;ethyl formate
CID 160682480
benzamide;thiophene-2-carboxamide
CID 174752818

Frequently Asked Questions

What is the IUPAC name of ethyl formate;2-(1-phenylethenyl)thiophene?
The IUPAC name of ethyl formate;2-(1-phenylethenyl)thiophene (CID 143321952) is ethyl formate;2-(1-phenylethenyl)thiophene.
What is the SMILES notation for ethyl formate;2-(1-phenylethenyl)thiophene?
The canonical SMILES for ethyl formate;2-(1-phenylethenyl)thiophene is C=C(c1ccccc1)c1cccs1.CCOC=O.
What is the InChIKey of ethyl formate;2-(1-phenylethenyl)thiophene?
The InChIKey is VRBBDERUUYETAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10S.C3H6O2/c1-10(12-8-5-9-13-12)11-6-3-2-4-7-11;1-2-5-3-4/h2-9H,1H2;3H,2H2,1H3.
What are the key properties of ethyl formate;2-(1-phenylethenyl)thiophene?
ethyl formate;2-(1-phenylethenyl)thiophene has a molecular weight of 260.36 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl formate;2-(1-phenylethenyl)thiophene is sourced from PubChem (CID 143321952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).