1-fluoro-4-[(4-methoxyphenyl)methylsulfanylmethyl]benzene

C15H15FOS — CID 59882027

IUPAC1-fluoro-4-[(4-methoxyphenyl)methylsulfanylmethyl]benzene
SMILESCOc1ccc(CSCc2ccc(F)cc2)cc1
InChIInChI=1S/C15H15FOS/c1-17-15-8-4-13(5-9-15)11-18-10-12-2-6-14(16)7-3-12/h2-9H,10-11H2,1H3
InChIKeyLADQLAVHZVTNKI-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.27
Rot. Bonds5

About 1-fluoro-4-[(4-methoxyphenyl)methylsulfanylmethyl]benzene

1-fluoro-4-[(4-methoxyphenyl)methylsulfanylmethyl]benzene (PubChem CID 59882027) has the molecular formula C15H15FOS and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-fluoro-4-[(4-methoxyphenyl)methylsulfanylmethyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(4-methoxyphenyl)methylsulfanylmethyl]benzene
PubChem CID59882027
Molecular FormulaC15H15FOS
Molecular Weight262.35 g/mol
Exact Mass262.08
IUPAC Name1-fluoro-4-[(4-methoxyphenyl)methylsulfanylmethyl]benzene
SMILESCOc1ccc(CSCc2ccc(F)cc2)cc1
InChIInChI=1S/C15H15FOS/c1-17-15-8-4-13(5-9-15)11-18-10-12-2-6-14(16)7-3-12/h2-9H,10-11H2,1H3
InChIKeyLADQLAVHZVTNKI-UHFFFAOYSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

difluoromethane;1-fluoro-4-methoxybenzene
CID 157211198
4-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]aniline
CID 79148342
5-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]aniline
CID 43304406
N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 16850087
2-[(4-fluorophenyl)methylsulfanyl]-4-methoxyaniline
CID 79519098
3-[(4-methoxyphenyl)methylsulfanylmethyl]azetidine
CID 66289089
3-[(4-methoxyphenyl)methylsulfanyl]propan-1-amine
CID 58684174
3-[(4-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole
CID 972683
1-(diethoxyphosphorylmethylsulfanylmethyl)-4-methoxybenzene
CID 170567122
2-[(4-methoxyphenyl)methylsulfanyl]acetyl chloride
CID 13273375
(4-methoxyphenyl)methylsulfanylmethanesulfonamide
CID 14460406
(2S)-2-[(4-fluorophenyl)methyl-[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylpropanamide
CID 100684135

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(4-methoxyphenyl)methylsulfanylmethyl]benzene?
The IUPAC name of 1-fluoro-4-[(4-methoxyphenyl)methylsulfanylmethyl]benzene (CID 59882027) is 1-fluoro-4-[(4-methoxyphenyl)methylsulfanylmethyl]benzene.
What is the SMILES notation for 1-fluoro-4-[(4-methoxyphenyl)methylsulfanylmethyl]benzene?
The canonical SMILES for 1-fluoro-4-[(4-methoxyphenyl)methylsulfanylmethyl]benzene is COc1ccc(CSCc2ccc(F)cc2)cc1.
What is the InChIKey of 1-fluoro-4-[(4-methoxyphenyl)methylsulfanylmethyl]benzene?
The InChIKey is LADQLAVHZVTNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FOS/c1-17-15-8-4-13(5-9-15)11-18-10-12-2-6-14(16)7-3-12/h2-9H,10-11H2,1H3.
What are the key properties of 1-fluoro-4-[(4-methoxyphenyl)methylsulfanylmethyl]benzene?
1-fluoro-4-[(4-methoxyphenyl)methylsulfanylmethyl]benzene has a molecular weight of 262.35 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(4-methoxyphenyl)methylsulfanylmethyl]benzene is sourced from PubChem (CID 59882027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).