[2,6-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methyl methanesulfonate

C16H16F2O5S — CID 118455182

IUPAC[2,6-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methyl methanesulfonate
SMILESCOc1ccc(COc2cc(F)c(COS(C)(=O)=O)c(F)c2)cc1
InChIInChI=1S/C16H16F2O5S/c1-21-12-5-3-11(4-6-12)9-22-13-7-15(17)14(16(18)8-13)10-23-24(2,19)20/h3-8H,9-10H2,1-2H3
InChIKeyALCWVYAQRPHYTQ-UHFFFAOYSA-N
MW358.36 g/mol
LogP3.03
Rot. Bonds7

About [2,6-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methyl methanesulfonate

[2,6-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methyl methanesulfonate (PubChem CID 118455182) has the molecular formula C16H16F2O5S and a molecular weight of 358.36 g/mol. Its IUPAC name is [2,6-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methyl methanesulfonate.

Molecular Properties

Compound Name[2,6-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methyl methanesulfonate
PubChem CID118455182
Molecular FormulaC16H16F2O5S
Molecular Weight358.36 g/mol
Exact Mass358.07
IUPAC Name[2,6-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methyl methanesulfonate
SMILESCOc1ccc(COc2cc(F)c(COS(C)(=O)=O)c(F)c2)cc1
InChIInChI=1S/C16H16F2O5S/c1-21-12-5-3-11(4-6-12)9-22-13-7-15(17)14(16(18)8-13)10-23-24(2,19)20/h3-8H,9-10H2,1-2H3
InChIKeyALCWVYAQRPHYTQ-UHFFFAOYSA-N
XLogP3.03
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2,6-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]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-bromo-6-fluoro-4-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 118663690
4-[(4-methoxyphenyl)methoxy]-2,6-dimethylbenzaldehyde
CID 89075943
(1R)-1-[2-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 107720145
(2,4,6-trimethoxyphenyl)methyl methanesulfonate
CID 102620850
(4-ethoxyphenyl)methyl methanesulfonate
CID 91756757
[2-fluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl methanesulfonate
CID 59184646
4-[(4-methoxyphenyl)methoxy]-2,6-dimethylaniline
CID 170076319
[(2R)-2,3-bis(4-methoxyphenyl)propyl] methanesulfonate
CID 129384796
1-[4,5-difluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 71248787
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-(2-(18F)fluoroethoxy)-4-[(4-methoxyphenoxy)methyl]benzene
CID 127026687
[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine
CID 28966349

Frequently Asked Questions

What is the IUPAC name of [2,6-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methyl methanesulfonate?
The IUPAC name of [2,6-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methyl methanesulfonate (CID 118455182) is [2,6-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methyl methanesulfonate.
What is the SMILES notation for [2,6-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methyl methanesulfonate?
The canonical SMILES for [2,6-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methyl methanesulfonate is COc1ccc(COc2cc(F)c(COS(C)(=O)=O)c(F)c2)cc1.
What is the InChIKey of [2,6-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methyl methanesulfonate?
The InChIKey is ALCWVYAQRPHYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O5S/c1-21-12-5-3-11(4-6-12)9-22-13-7-15(17)14(16(18)8-13)10-23-24(2,19)20/h3-8H,9-10H2,1-2H3.
What are the key properties of [2,6-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methyl methanesulfonate?
[2,6-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methyl methanesulfonate has a molecular weight of 358.36 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methyl methanesulfonate is sourced from PubChem (CID 118455182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).