[2-(4-methoxyphenyl)-5-phenylthiophen-3-yl] acetate

C19H16O3S — CID 15078744

IUPAC[2-(4-methoxyphenyl)-5-phenylthiophen-3-yl] acetate
SMILESCOc1ccc(-c2sc(-c3ccccc3)cc2OC(C)=O)cc1
InChIInChI=1S/C19H16O3S/c1-13(20)22-17-12-18(14-6-4-3-5-7-14)23-19(17)15-8-10-16(21-2)11-9-15/h3-12H,1-2H3
InChIKeyVBVWXZRLTDQFGG-UHFFFAOYSA-N
MW324.40 g/mol
LogP5.02
Rot. Bonds4

About [2-(4-methoxyphenyl)-5-phenylthiophen-3-yl] acetate

[2-(4-methoxyphenyl)-5-phenylthiophen-3-yl] acetate (PubChem CID 15078744) has the molecular formula C19H16O3S and a molecular weight of 324.40 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-5-phenylthiophen-3-yl] acetate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-5-phenylthiophen-3-yl] acetate
PubChem CID15078744
Molecular FormulaC19H16O3S
Molecular Weight324.40 g/mol
Exact Mass324.08
IUPAC Name[2-(4-methoxyphenyl)-5-phenylthiophen-3-yl] acetate
SMILESCOc1ccc(-c2sc(-c3ccccc3)cc2OC(C)=O)cc1
InChIInChI=1S/C19H16O3S/c1-13(20)22-17-12-18(14-6-4-3-5-7-14)23-19(17)15-8-10-16(21-2)11-9-15/h3-12H,1-2H3
InChIKeyVBVWXZRLTDQFGG-UHFFFAOYSA-N
XLogP5.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.40
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(4-methoxyphenyl)-5-phenylthiophen-3-yl] acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-5-phenylthiophen-3-yl] acetate?
The IUPAC name of [2-(4-methoxyphenyl)-5-phenylthiophen-3-yl] acetate (CID 15078744) is [2-(4-methoxyphenyl)-5-phenylthiophen-3-yl] acetate.
What is the SMILES notation for [2-(4-methoxyphenyl)-5-phenylthiophen-3-yl] acetate?
The canonical SMILES for [2-(4-methoxyphenyl)-5-phenylthiophen-3-yl] acetate is COc1ccc(-c2sc(-c3ccccc3)cc2OC(C)=O)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-5-phenylthiophen-3-yl] acetate?
The InChIKey is VBVWXZRLTDQFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3S/c1-13(20)22-17-12-18(14-6-4-3-5-7-14)23-19(17)15-8-10-16(21-2)11-9-15/h3-12H,1-2H3.
What are the key properties of [2-(4-methoxyphenyl)-5-phenylthiophen-3-yl] acetate?
[2-(4-methoxyphenyl)-5-phenylthiophen-3-yl] acetate has a molecular weight of 324.40 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-5-phenylthiophen-3-yl] acetate is sourced from PubChem (CID 15078744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).