1-benzylsulfanyl-2-fluoro-4-phenylmethoxybenzene

C20H17FOS — CID 167488738

IUPAC1-benzylsulfanyl-2-fluoro-4-phenylmethoxybenzene
SMILESFc1cc(OCc2ccccc2)ccc1SCc1ccccc1
InChIInChI=1S/C20H17FOS/c21-19-13-18(22-14-16-7-3-1-4-8-16)11-12-20(19)23-15-17-9-5-2-6-10-17/h1-13H,14-15H2
InChIKeyBQRJFYIWWNMHSY-UHFFFAOYSA-N
MW324.42 g/mol
LogP5.70
Rot. Bonds6

About 1-benzylsulfanyl-2-fluoro-4-phenylmethoxybenzene

1-benzylsulfanyl-2-fluoro-4-phenylmethoxybenzene (PubChem CID 167488738) has the molecular formula C20H17FOS and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-benzylsulfanyl-2-fluoro-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-benzylsulfanyl-2-fluoro-4-phenylmethoxybenzene
PubChem CID167488738
Molecular FormulaC20H17FOS
Molecular Weight324.42 g/mol
Exact Mass324.10
IUPAC Name1-benzylsulfanyl-2-fluoro-4-phenylmethoxybenzene
SMILESFc1cc(OCc2ccccc2)ccc1SCc1ccccc1
InChIInChI=1S/C20H17FOS/c21-19-13-18(22-14-16-7-3-1-4-8-16)11-12-20(19)23-15-17-9-5-2-6-10-17/h1-13H,14-15H2
InChIKeyBQRJFYIWWNMHSY-UHFFFAOYSA-N
XLogP5.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.42
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(4-fluorophenyl)methoxy]-2-[(4-fluorophenyl)methylsulfanyl]phenol
CID 166637498
2-benzylsulfanyl-1-nitro-4-phenylmethoxybenzene
CID 67063443
(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 107718661
1-fluoro-2-iodo-4-phenylmethoxybenzene
CID 18330888
2-fluoro-1-nitroso-4-phenylmethoxybenzene
CID 123801524
1,3-difluoro-2-methyl-5-phenylmethoxybenzene;ethane
CID 142106571
5-benzylsulfanyl-2-chloro-4-fluoropyridine
CID 171096656
1-(2-fluoro-5-phenylmethoxyphenyl)-2-phenylethanol
CID 83988743
1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene
CID 112788397
(1S)-2-amino-1-(2-fluoro-5-phenylmethoxyphenyl)ethanol
CID 129361760
1-(4-bromophenyl)-2-fluoro-4-phenylmethoxybenzene
CID 54462897
(2-benzylsulfanyl-4-phenylmethoxyphenyl)-cyclohexylmethanone
CID 67313980

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfanyl-2-fluoro-4-phenylmethoxybenzene?
The IUPAC name of 1-benzylsulfanyl-2-fluoro-4-phenylmethoxybenzene (CID 167488738) is 1-benzylsulfanyl-2-fluoro-4-phenylmethoxybenzene.
What is the SMILES notation for 1-benzylsulfanyl-2-fluoro-4-phenylmethoxybenzene?
The canonical SMILES for 1-benzylsulfanyl-2-fluoro-4-phenylmethoxybenzene is Fc1cc(OCc2ccccc2)ccc1SCc1ccccc1.
What is the InChIKey of 1-benzylsulfanyl-2-fluoro-4-phenylmethoxybenzene?
The InChIKey is BQRJFYIWWNMHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FOS/c21-19-13-18(22-14-16-7-3-1-4-8-16)11-12-20(19)23-15-17-9-5-2-6-10-17/h1-13H,14-15H2.
What are the key properties of 1-benzylsulfanyl-2-fluoro-4-phenylmethoxybenzene?
1-benzylsulfanyl-2-fluoro-4-phenylmethoxybenzene has a molecular weight of 324.42 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfanyl-2-fluoro-4-phenylmethoxybenzene is sourced from PubChem (CID 167488738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).