[5-(4-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone

C20H17FO4S — CID 44576938

IUPAC[5-(4-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(-c3ccc(F)cc3)s2)cc(OC)c1OC
InChIInChI=1S/C20H17FO4S/c1-23-15-10-13(11-16(24-2)20(15)25-3)19(22)18-9-8-17(26-18)12-4-6-14(21)7-5-12/h4-11H,1-3H3
InChIKeyDVNOQKRDFBCXPQ-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.81
Rot. Bonds6

About [5-(4-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone

[5-(4-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 44576938) has the molecular formula C20H17FO4S and a molecular weight of 372.42 g/mol. Its IUPAC name is [5-(4-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID44576938
Molecular FormulaC20H17FO4S
Molecular Weight372.42 g/mol
Exact Mass372.08
IUPAC Name[5-(4-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(-c3ccc(F)cc3)s2)cc(OC)c1OC
InChIInChI=1S/C20H17FO4S/c1-23-15-10-13(11-16(24-2)20(15)25-3)19(22)18-9-8-17(26-18)12-4-6-14(21)7-5-12/h4-11H,1-3H3
InChIKeyDVNOQKRDFBCXPQ-UHFFFAOYSA-N
XLogP4.81
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-(4-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)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 [5-(4-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [5-(4-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 44576938) is [5-(4-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [5-(4-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [5-(4-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2ccc(-c3ccc(F)cc3)s2)cc(OC)c1OC.
What is the InChIKey of [5-(4-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is DVNOQKRDFBCXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FO4S/c1-23-15-10-13(11-16(24-2)20(15)25-3)19(22)18-9-8-17(26-18)12-4-6-14(21)7-5-12/h4-11H,1-3H3.
What are the key properties of [5-(4-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
[5-(4-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 372.42 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 44576938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).