[2-(4-fluoro-3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-methoxyphenyl)methanone

C19H17FO3S — CID 66585092

IUPAC[2-(4-fluoro-3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)C2=CCC(c3ccc(F)c(OC)c3)S2)c1
InChIInChI=1S/C19H17FO3S/c1-22-14-5-3-4-13(10-14)19(21)18-9-8-17(24-18)12-6-7-15(20)16(11-12)23-2/h3-7,9-11,17H,8H2,1-2H3
InChIKeyUTHXXOGYSMVHSL-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.79
Rot. Bonds5

About [2-(4-fluoro-3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-methoxyphenyl)methanone

[2-(4-fluoro-3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-methoxyphenyl)methanone (PubChem CID 66585092) has the molecular formula C19H17FO3S and a molecular weight of 344.41 g/mol. Its IUPAC name is [2-(4-fluoro-3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(4-fluoro-3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-methoxyphenyl)methanone
PubChem CID66585092
Molecular FormulaC19H17FO3S
Molecular Weight344.41 g/mol
Exact Mass344.09
IUPAC Name[2-(4-fluoro-3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)C2=CCC(c3ccc(F)c(OC)c3)S2)c1
InChIInChI=1S/C19H17FO3S/c1-22-14-5-3-4-13(10-14)19(21)18-9-8-17(24-18)12-6-7-15(20)16(11-12)23-2/h3-7,9-11,17H,8H2,1-2H3
InChIKeyUTHXXOGYSMVHSL-UHFFFAOYSA-N
XLogP4.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(4-fluoro-3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-methoxyphenyl)methanone 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-fluoro-3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [2-(4-fluoro-3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-methoxyphenyl)methanone (CID 66585092) is [2-(4-fluoro-3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [2-(4-fluoro-3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [2-(4-fluoro-3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)C2=CCC(c3ccc(F)c(OC)c3)S2)c1.
What is the InChIKey of [2-(4-fluoro-3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-methoxyphenyl)methanone?
The InChIKey is UTHXXOGYSMVHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FO3S/c1-22-14-5-3-4-13(10-14)19(21)18-9-8-17(24-18)12-6-7-15(20)16(11-12)23-2/h3-7,9-11,17H,8H2,1-2H3.
What are the key properties of [2-(4-fluoro-3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-methoxyphenyl)methanone?
[2-(4-fluoro-3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-methoxyphenyl)methanone has a molecular weight of 344.41 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoro-3-methoxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 66585092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).