1-[5-[3-[4-[(2-fluorophenyl)methoxy]phenyl]phenyl]thiophen-2-yl]ethanone

C25H19FO2S — CID 123821866

IUPAC1-[5-[3-[4-[(2-fluorophenyl)methoxy]phenyl]phenyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cccc(-c3ccc(OCc4ccccc4F)cc3)c2)s1
InChIInChI=1S/C25H19FO2S/c1-17(27)24-13-14-25(29-24)20-7-4-6-19(15-20)18-9-11-22(12-10-18)28-16-21-5-2-3-8-23(21)26/h2-15H,16H2,1H3
InChIKeyLLCAXKJUYZZJSZ-UHFFFAOYSA-N
MW402.49 g/mol
LogP7.00
Rot. Bonds6

About 1-[5-[3-[4-[(2-fluorophenyl)methoxy]phenyl]phenyl]thiophen-2-yl]ethanone

1-[5-[3-[4-[(2-fluorophenyl)methoxy]phenyl]phenyl]thiophen-2-yl]ethanone (PubChem CID 123821866) has the molecular formula C25H19FO2S and a molecular weight of 402.49 g/mol. Its IUPAC name is 1-[5-[3-[4-[(2-fluorophenyl)methoxy]phenyl]phenyl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[3-[4-[(2-fluorophenyl)methoxy]phenyl]phenyl]thiophen-2-yl]ethanone
PubChem CID123821866
Molecular FormulaC25H19FO2S
Molecular Weight402.49 g/mol
Exact Mass402.11
IUPAC Name1-[5-[3-[4-[(2-fluorophenyl)methoxy]phenyl]phenyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cccc(-c3ccc(OCc4ccccc4F)cc3)c2)s1
InChIInChI=1S/C25H19FO2S/c1-17(27)24-13-14-25(29-24)20-7-4-6-19(15-20)18-9-11-22(12-10-18)28-16-21-5-2-3-8-23(21)26/h2-15H,16H2,1H3
InChIKeyLLCAXKJUYZZJSZ-UHFFFAOYSA-N
XLogP7.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]ethanone
CID 91863363
1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]ethanone
CID 62813066
2-[3-[4-[(2-fluorophenyl)methoxy]phenyl]anilino]-3-phenylpropanoic acid
CID 58629332
1-[5-(3-chlorophenyl)thiophen-2-yl]ethanone
CID 4190812
1-[5-(3-bromo-4-fluorophenyl)thiophen-2-yl]ethanone
CID 104780316
1-[5-(3,4-dimethylphenyl)thiophen-2-yl]ethanone
CID 13401836
4-[(2-fluorophenyl)methoxy]-2-hydroxybenzoic acid
CID 91682681
[3-[(2-fluorophenyl)methoxy]phenyl] carbamate
CID 175148405
2-[3-[(2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 146264019
5-acetyl-N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide
CID 18105799
3-fluoro-4-[(4-methylphenoxy)methyl]benzoic acid
CID 63073092
3-[(2-fluorophenyl)methoxy]-N-methylbenzamide
CID 13176420

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-[4-[(2-fluorophenyl)methoxy]phenyl]phenyl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-[3-[4-[(2-fluorophenyl)methoxy]phenyl]phenyl]thiophen-2-yl]ethanone (CID 123821866) is 1-[5-[3-[4-[(2-fluorophenyl)methoxy]phenyl]phenyl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-[3-[4-[(2-fluorophenyl)methoxy]phenyl]phenyl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-[3-[4-[(2-fluorophenyl)methoxy]phenyl]phenyl]thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2cccc(-c3ccc(OCc4ccccc4F)cc3)c2)s1.
What is the InChIKey of 1-[5-[3-[4-[(2-fluorophenyl)methoxy]phenyl]phenyl]thiophen-2-yl]ethanone?
The InChIKey is LLCAXKJUYZZJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FO2S/c1-17(27)24-13-14-25(29-24)20-7-4-6-19(15-20)18-9-11-22(12-10-18)28-16-21-5-2-3-8-23(21)26/h2-15H,16H2,1H3.
What are the key properties of 1-[5-[3-[4-[(2-fluorophenyl)methoxy]phenyl]phenyl]thiophen-2-yl]ethanone?
1-[5-[3-[4-[(2-fluorophenyl)methoxy]phenyl]phenyl]thiophen-2-yl]ethanone has a molecular weight of 402.49 g/mol, XLogP of 7.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-[4-[(2-fluorophenyl)methoxy]phenyl]phenyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 123821866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).