2-(3-fluorophenyl)-3-(4-phenylmethoxyphenyl)thiophene

C23H17FOS — CID 91474034

IUPAC2-(3-fluorophenyl)-3-(4-phenylmethoxyphenyl)thiophene
SMILESFc1cccc(-c2sccc2-c2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C23H17FOS/c24-20-8-4-7-19(15-20)23-22(13-14-26-23)18-9-11-21(12-10-18)25-16-17-5-2-1-3-6-17/h1-15H,16H2
InChIKeyHOFRCPUWLYIBCV-UHFFFAOYSA-N
MW360.45 g/mol
LogP6.80
Rot. Bonds5

About 2-(3-fluorophenyl)-3-(4-phenylmethoxyphenyl)thiophene

2-(3-fluorophenyl)-3-(4-phenylmethoxyphenyl)thiophene (PubChem CID 91474034) has the molecular formula C23H17FOS and a molecular weight of 360.45 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-(4-phenylmethoxyphenyl)thiophene.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-(4-phenylmethoxyphenyl)thiophene
PubChem CID91474034
Molecular FormulaC23H17FOS
Molecular Weight360.45 g/mol
Exact Mass360.10
IUPAC Name2-(3-fluorophenyl)-3-(4-phenylmethoxyphenyl)thiophene
SMILESFc1cccc(-c2sccc2-c2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C23H17FOS/c24-20-8-4-7-19(15-20)23-22(13-14-26-23)18-9-11-21(12-10-18)25-16-17-5-2-1-3-6-17/h1-15H,16H2
InChIKeyHOFRCPUWLYIBCV-UHFFFAOYSA-N
XLogP6.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.45
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-fluorophenyl)methoxy]-1-phenyl-2-(trifluoromethyl)benzene
CID 141169657
3-phenyl-2-[4-(3-phenylthiophen-2-yl)phenyl]thiophene
CID 67533042
3-fluoro-5-(4-phenylmethoxyphenyl)phenol
CID 53219757
3-fluoro-4-(4-phenylmethoxyphenyl)phenol
CID 53219756
2-fluoro-4-[4-(3-fluorophenyl)phenyl]-1-phenylmethoxybenzene
CID 54485852
[4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 887902
2-phenyl-5-phenylmethoxyphenol
CID 123808909
N-[4-fluoro-2-(4-phenylmethoxyphenyl)phenyl]-N-methylformamide
CID 167513611
1,3-diphenylbenzene;4-phenylmethoxyphenol
CID 70041760
1-(4-bromophenyl)-2-fluoro-4-phenylmethoxybenzene
CID 54462897
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene
CID 29038126

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-(4-phenylmethoxyphenyl)thiophene?
The IUPAC name of 2-(3-fluorophenyl)-3-(4-phenylmethoxyphenyl)thiophene (CID 91474034) is 2-(3-fluorophenyl)-3-(4-phenylmethoxyphenyl)thiophene.
What is the SMILES notation for 2-(3-fluorophenyl)-3-(4-phenylmethoxyphenyl)thiophene?
The canonical SMILES for 2-(3-fluorophenyl)-3-(4-phenylmethoxyphenyl)thiophene is Fc1cccc(-c2sccc2-c2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-3-(4-phenylmethoxyphenyl)thiophene?
The InChIKey is HOFRCPUWLYIBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FOS/c24-20-8-4-7-19(15-20)23-22(13-14-26-23)18-9-11-21(12-10-18)25-16-17-5-2-1-3-6-17/h1-15H,16H2.
What are the key properties of 2-(3-fluorophenyl)-3-(4-phenylmethoxyphenyl)thiophene?
2-(3-fluorophenyl)-3-(4-phenylmethoxyphenyl)thiophene has a molecular weight of 360.45 g/mol, XLogP of 6.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-(4-phenylmethoxyphenyl)thiophene is sourced from PubChem (CID 91474034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).