1-[(2-fluorophenyl)methoxy]-2-methoxy-4-(methylsulfonylmethyl)benzene

C16H17FO4S — CID 68649785

IUPAC1-[(2-fluorophenyl)methoxy]-2-methoxy-4-(methylsulfonylmethyl)benzene
SMILESCOc1cc(CS(C)(=O)=O)ccc1OCc1ccccc1F
InChIInChI=1S/C16H17FO4S/c1-20-16-9-12(11-22(2,18)19)7-8-15(16)21-10-13-5-3-4-6-14(13)17/h3-9H,10-11H2,1-2H3
InChIKeySMOFHAHZTJDRBX-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.96
Rot. Bonds6

About 1-[(2-fluorophenyl)methoxy]-2-methoxy-4-(methylsulfonylmethyl)benzene

1-[(2-fluorophenyl)methoxy]-2-methoxy-4-(methylsulfonylmethyl)benzene (PubChem CID 68649785) has the molecular formula C16H17FO4S and a molecular weight of 324.37 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methoxy]-2-methoxy-4-(methylsulfonylmethyl)benzene.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methoxy]-2-methoxy-4-(methylsulfonylmethyl)benzene
PubChem CID68649785
Molecular FormulaC16H17FO4S
Molecular Weight324.37 g/mol
Exact Mass324.08
IUPAC Name1-[(2-fluorophenyl)methoxy]-2-methoxy-4-(methylsulfonylmethyl)benzene
SMILESCOc1cc(CS(C)(=O)=O)ccc1OCc1ccccc1F
InChIInChI=1S/C16H17FO4S/c1-20-16-9-12(11-22(2,18)19)7-8-15(16)21-10-13-5-3-4-6-14(13)17/h3-9H,10-11H2,1-2H3
InChIKeySMOFHAHZTJDRBX-UHFFFAOYSA-N
XLogP2.96
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methoxy]-2-methoxy-4-(methylsulfonylmethyl)benzene?
The IUPAC name of 1-[(2-fluorophenyl)methoxy]-2-methoxy-4-(methylsulfonylmethyl)benzene (CID 68649785) is 1-[(2-fluorophenyl)methoxy]-2-methoxy-4-(methylsulfonylmethyl)benzene.
What is the SMILES notation for 1-[(2-fluorophenyl)methoxy]-2-methoxy-4-(methylsulfonylmethyl)benzene?
The canonical SMILES for 1-[(2-fluorophenyl)methoxy]-2-methoxy-4-(methylsulfonylmethyl)benzene is COc1cc(CS(C)(=O)=O)ccc1OCc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methoxy]-2-methoxy-4-(methylsulfonylmethyl)benzene?
The InChIKey is SMOFHAHZTJDRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO4S/c1-20-16-9-12(11-22(2,18)19)7-8-15(16)21-10-13-5-3-4-6-14(13)17/h3-9H,10-11H2,1-2H3.
What are the key properties of 1-[(2-fluorophenyl)methoxy]-2-methoxy-4-(methylsulfonylmethyl)benzene?
1-[(2-fluorophenyl)methoxy]-2-methoxy-4-(methylsulfonylmethyl)benzene has a molecular weight of 324.37 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methoxy]-2-methoxy-4-(methylsulfonylmethyl)benzene is sourced from PubChem (CID 68649785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).