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

C20H17FO4S — CID 171618872

IUPAC[4-(3-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(-c3cccc(F)c3)cs2)cc(OC)c1OC
InChIInChI=1S/C20H17FO4S/c1-23-16-8-13(9-17(24-2)20(16)25-3)19(22)18-10-14(11-26-18)12-5-4-6-15(21)7-12/h4-11H,1-3H3
InChIKeyBAVPIQRAOQTIOQ-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.81
Rot. Bonds6

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

[4-(3-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 171618872) has the molecular formula C20H17FO4S and a molecular weight of 372.42 g/mol. Its IUPAC name is [4-(3-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(3-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID171618872
Molecular FormulaC20H17FO4S
Molecular Weight372.42 g/mol
Exact Mass372.08
IUPAC Name[4-(3-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(-c3cccc(F)c3)cs2)cc(OC)c1OC
InChIInChI=1S/C20H17FO4S/c1-23-16-8-13(9-17(24-2)20(16)25-3)19(22)18-10-14(11-26-18)12-5-4-6-15(21)7-12/h4-11H,1-3H3
InChIKeyBAVPIQRAOQTIOQ-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

[4-(3,5-dichlorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 171618877
(3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 53364048
[3-amino-5-(3-fluorophenyl)pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 175914387
[2-(3-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 69035895
(3-fluoro-5-methylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 146006913
N-[3-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-ylidene]-3,4,5-trimethoxybenzamide
CID 46193662
(3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 10902719
(3,4-difluorophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 146006227
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-N-methylbenzamide
CID 1176039
2-(3-fluorophenyl)-4-methoxyquinoline-7-carbonyl chloride
CID 169130695
(4-methoxy-2-phenyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 122183344
3-(3-fluorophenyl)-4-methoxybenzoic acid
CID 39349091

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [4-(3-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 171618872) is [4-(3-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [4-(3-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [4-(3-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cc(-c3cccc(F)c3)cs2)cc(OC)c1OC.
What is the InChIKey of [4-(3-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is BAVPIQRAOQTIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FO4S/c1-23-16-8-13(9-17(24-2)20(16)25-3)19(22)18-10-14(11-26-18)12-5-4-6-15(21)7-12/h4-11H,1-3H3.
What are the key properties of [4-(3-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
[4-(3-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 [4-(3-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 171618872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).