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

C20H17FO4S — CID 44576940

IUPAC[5-(2-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(-c3ccccc3F)s2)cc(OC)c1OC
InChIInChI=1S/C20H17FO4S/c1-23-15-10-12(11-16(24-2)20(15)25-3)19(22)18-9-8-17(26-18)13-6-4-5-7-14(13)21/h4-11H,1-3H3
InChIKeyOYUOVAPIOCRNSD-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.81
Rot. Bonds6

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

[5-(2-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 44576940) has the molecular formula C20H17FO4S and a molecular weight of 372.42 g/mol. Its IUPAC name is [5-(2-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[5-(2-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID44576940
Molecular FormulaC20H17FO4S
Molecular Weight372.42 g/mol
Exact Mass372.08
IUPAC Name[5-(2-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(-c3ccccc3F)s2)cc(OC)c1OC
InChIInChI=1S/C20H17FO4S/c1-23-15-10-12(11-16(24-2)20(15)25-3)19(22)18-9-8-17(26-18)13-6-4-5-7-14(13)21/h4-11H,1-3H3
InChIKeyOYUOVAPIOCRNSD-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

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Related Compounds

3,3',4,4',5-Pentamethoxybenzophenone
CID 255605
(4-Methoxyphenyl)(3,4,5-trimethoxyphenyl)methanone
CID 368149
(6-Methoxy-2-(4-methoxyphenyl)benzo[b]thiophen-3-yl)(3,4,5-trimethoxyphenyl)methanone
CID 9804485
(E)-3-(3,5-Difluoro-4-methoxy-phenyl)-2-methyl-1-(3,4,5-trimethoxy-phenyl)-propenone
CID 10110183
(E)-3-(3-Fluoro-4-methoxy-phenyl)-1-(3,4,5-trimethoxy-phenyl)-propenone
CID 10154653
(E)-3-(3-Fluoro-4-methoxy-phenyl)-2-methyl-1-(3,4,5-trimethoxy-phenyl)-propenone
CID 10155421
[2-(3-Hydroxy-4-methoxy-phenyl)-6-methoxy-benzo[b]thiophen-3-yl]-(3,4,5-trimethoxy-phenyl)-methanone
CID 10299472
[2-(3-Hydroxy-4-methoxy-phenyl)-thiophen-3-yl]-(3,4,5-trimethoxy-phenyl)-methanone
CID 10476103
(E)-3-(5-Benzo[b]thiophen-2-yl-2,4-dimethoxy-phenyl)-1-(4-hydroxy-3,5-dimethoxy-phenyl)-propenone
CID 22025531
(5-Phenylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 44576897
(5-Thiophen-2-ylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 44576898
(5-(4-Hydroxy-3-methoxyphenyl)thiophen-2-yl)(3-hydroxyphenyl)methanone
CID 49840198

Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [5-(2-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 44576940) is [5-(2-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [5-(2-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [5-(2-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2ccc(-c3ccccc3F)s2)cc(OC)c1OC.
What is the InChIKey of [5-(2-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is OYUOVAPIOCRNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FO4S/c1-23-15-10-12(11-16(24-2)20(15)25-3)19(22)18-9-8-17(26-18)13-6-4-5-7-14(13)21/h4-11H,1-3H3.
What are the key properties of [5-(2-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
[5-(2-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-(2-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 44576940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).