1-fluoro-4-methoxy-2-(methylsulfonylmethyl)benzene

C9H11FO3S — CID 130132950

IUPAC1-fluoro-4-methoxy-2-(methylsulfonylmethyl)benzene
SMILESCOc1ccc(F)c(CS(C)(=O)=O)c1
InChIInChI=1S/C9H11FO3S/c1-13-8-3-4-9(10)7(5-8)6-14(2,11)12/h3-5H,6H2,1-2H3
InChIKeyOHBMNPUHGWAZAL-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.38
Rot. Bonds3

About 1-fluoro-4-methoxy-2-(methylsulfonylmethyl)benzene

1-fluoro-4-methoxy-2-(methylsulfonylmethyl)benzene (PubChem CID 130132950) has the molecular formula C9H11FO3S and a molecular weight of 218.25 g/mol. Its IUPAC name is 1-fluoro-4-methoxy-2-(methylsulfonylmethyl)benzene.

Molecular Properties

Compound Name1-fluoro-4-methoxy-2-(methylsulfonylmethyl)benzene
PubChem CID130132950
Molecular FormulaC9H11FO3S
Molecular Weight218.25 g/mol
Exact Mass218.04
IUPAC Name1-fluoro-4-methoxy-2-(methylsulfonylmethyl)benzene
SMILESCOc1ccc(F)c(CS(C)(=O)=O)c1
InChIInChI=1S/C9H11FO3S/c1-13-8-3-4-9(10)7(5-8)6-14(2,11)12/h3-5H,6H2,1-2H3
InChIKeyOHBMNPUHGWAZAL-UHFFFAOYSA-N
XLogP1.38
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-fluoro-4-methoxy-2-methylsulfonylbenzene
CID 69311916
O-[(2-fluoro-5-methoxyphenyl)methyl]hydroxylamine
CID 83808208
(2-(18F)fluoro-5-methoxyphenyl)methyl acetate
CID 156599512
3-(2-fluoro-5-methoxyphenyl)propanoic acid
CID 83402634
2-[(2-fluoro-5-methoxyphenyl)methylsulfamoylamino]acetic acid
CID 166400734
N-[2-(2-fluoro-5-methoxyphenyl)ethyl]acetamide
CID 86035442
2-fluoro-5-methoxy-N-(methylsulfonimidoyl)aniline
CID 164657275
1-[(2-fluoro-5-methoxyphenyl)methyl]piperidine
CID 22372485
(2-fluoro-5-methoxyphenyl)methyl-dimethyl-propan-2-ylazanium
CID 170413478
2-[(2-fluoro-4-methoxyphenyl)methylsulfonyl]aniline
CID 102878450
6-methoxy-1-methyl-3-(methylsulfonylmethyl)quinolin-4-one
CID 12807853
4-chloro-6-[(2,5-dimethoxyphenyl)methyl]-2-(methylsulfonylmethyl)pyrimidine
CID 158077460

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-methoxy-2-(methylsulfonylmethyl)benzene?
The IUPAC name of 1-fluoro-4-methoxy-2-(methylsulfonylmethyl)benzene (CID 130132950) is 1-fluoro-4-methoxy-2-(methylsulfonylmethyl)benzene.
What is the SMILES notation for 1-fluoro-4-methoxy-2-(methylsulfonylmethyl)benzene?
The canonical SMILES for 1-fluoro-4-methoxy-2-(methylsulfonylmethyl)benzene is COc1ccc(F)c(CS(C)(=O)=O)c1.
What is the InChIKey of 1-fluoro-4-methoxy-2-(methylsulfonylmethyl)benzene?
The InChIKey is OHBMNPUHGWAZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO3S/c1-13-8-3-4-9(10)7(5-8)6-14(2,11)12/h3-5H,6H2,1-2H3.
What are the key properties of 1-fluoro-4-methoxy-2-(methylsulfonylmethyl)benzene?
1-fluoro-4-methoxy-2-(methylsulfonylmethyl)benzene has a molecular weight of 218.25 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-methoxy-2-(methylsulfonylmethyl)benzene is sourced from PubChem (CID 130132950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).