(2-fluoro-3-methoxyphenyl)methyl methanesulfonate

C9H11FO4S — CID 59479330

IUPAC(2-fluoro-3-methoxyphenyl)methyl methanesulfonate
SMILESCOc1cccc(COS(C)(=O)=O)c1F
InChIInChI=1S/C9H11FO4S/c1-13-8-5-3-4-7(9(8)10)6-14-15(2,11)12/h3-5H,6H2,1-2H3
InChIKeyYKUGBTKZYYPPMY-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.31
Rot. Bonds4

About (2-fluoro-3-methoxyphenyl)methyl methanesulfonate

(2-fluoro-3-methoxyphenyl)methyl methanesulfonate (PubChem CID 59479330) has the molecular formula C9H11FO4S and a molecular weight of 234.25 g/mol. Its IUPAC name is (2-fluoro-3-methoxyphenyl)methyl methanesulfonate.

Molecular Properties

Compound Name(2-fluoro-3-methoxyphenyl)methyl methanesulfonate
PubChem CID59479330
Molecular FormulaC9H11FO4S
Molecular Weight234.25 g/mol
Exact Mass234.04
IUPAC Name(2-fluoro-3-methoxyphenyl)methyl methanesulfonate
SMILESCOc1cccc(COS(C)(=O)=O)c1F
InChIInChI=1S/C9H11FO4S/c1-13-8-5-3-4-7(9(8)10)6-14-15(2,11)12/h3-5H,6H2,1-2H3
InChIKeyYKUGBTKZYYPPMY-UHFFFAOYSA-N
XLogP1.31
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze (2-fluoro-3-methoxyphenyl)methyl methanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,3-difluorophenyl)methyl methanesulfonate
CID 102620759
2-fluoro-1-methoxy-3-(methoxymethyl)benzene
CID 70661160
1-[(2-ethylphenoxy)methyl]-2-fluoro-3-methoxybenzene
CID 104795197
(6-bromo-2-fluoro-3-methoxyphenyl)methyl methanesulfonate
CID 165130854
1-(2-fluoro-3-methoxyphenyl)-3-methoxypropan-2-one
CID 104793398
(3,4-difluoro-5-methoxyphenyl)methyl methanesulfonate
CID 118962022
[2-(difluoromethyl)-6-methoxyphenyl]methyl methanesulfonate
CID 177323170
(2-chloro-5-fluorophenyl)methyl methanesulfonate
CID 139022578
N-chloro-1-(2-fluoro-3-methoxyphenyl)methanamine
CID 89169985
1-[[4-(bromomethyl)phenoxy]methyl]-2-fluoro-3-methoxybenzene
CID 104792542
(2,5-dimethoxyphenyl)methyl methanesulfonate;ethane
CID 90981417
[2-(hydroxymethyl)phenyl]methyl methanesulfonate
CID 91507365

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methoxyphenyl)methyl methanesulfonate?
The IUPAC name of (2-fluoro-3-methoxyphenyl)methyl methanesulfonate (CID 59479330) is (2-fluoro-3-methoxyphenyl)methyl methanesulfonate.
What is the SMILES notation for (2-fluoro-3-methoxyphenyl)methyl methanesulfonate?
The canonical SMILES for (2-fluoro-3-methoxyphenyl)methyl methanesulfonate is COc1cccc(COS(C)(=O)=O)c1F.
What is the InChIKey of (2-fluoro-3-methoxyphenyl)methyl methanesulfonate?
The InChIKey is YKUGBTKZYYPPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO4S/c1-13-8-5-3-4-7(9(8)10)6-14-15(2,11)12/h3-5H,6H2,1-2H3.
What are the key properties of (2-fluoro-3-methoxyphenyl)methyl methanesulfonate?
(2-fluoro-3-methoxyphenyl)methyl methanesulfonate has a molecular weight of 234.25 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methoxyphenyl)methyl methanesulfonate is sourced from PubChem (CID 59479330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).