[2-(phenoxymethyl)phenyl]methyl methanesulfonate

C15H16O4S — CID 126722935

IUPAC[2-(phenoxymethyl)phenyl]methyl methanesulfonate
SMILESCS(=O)(=O)OCc1ccccc1COc1ccccc1
InChIInChI=1S/C15H16O4S/c1-20(16,17)19-12-14-8-6-5-7-13(14)11-18-15-9-3-2-4-10-15/h2-10H,11-12H2,1H3
InChIKeyDAERTRMCDXXZSE-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.74
Rot. Bonds6

About [2-(phenoxymethyl)phenyl]methyl methanesulfonate

[2-(phenoxymethyl)phenyl]methyl methanesulfonate (PubChem CID 126722935) has the molecular formula C15H16O4S and a molecular weight of 292.36 g/mol. Its IUPAC name is [2-(phenoxymethyl)phenyl]methyl methanesulfonate.

Molecular Properties

Compound Name[2-(phenoxymethyl)phenyl]methyl methanesulfonate
PubChem CID126722935
Molecular FormulaC15H16O4S
Molecular Weight292.36 g/mol
Exact Mass292.08
IUPAC Name[2-(phenoxymethyl)phenyl]methyl methanesulfonate
SMILESCS(=O)(=O)OCc1ccccc1COc1ccccc1
InChIInChI=1S/C15H16O4S/c1-20(16,17)19-12-14-8-6-5-7-13(14)11-18-15-9-3-2-4-10-15/h2-10H,11-12H2,1H3
InChIKeyDAERTRMCDXXZSE-UHFFFAOYSA-N
XLogP2.74
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-benzylphenyl)methyl methanesulfonate
CID 10446159
[2-(hydroxymethyl)phenyl]methyl methanesulfonate
CID 91507365
1-(benzenesulfonylmethyl)-2-(phenoxymethyl)benzene
CID 90995304
1-(2-methylpropyl)-2-(phenoxymethyl)benzene
CID 173253706
(5-phenoxypyrazin-2-yl)methyl methanesulfonate
CID 146526329
(2-cyanophenyl)methyl methanesulfonate
CID 107936439
benzyl methanesulfonate;formaldehyde
CID 175233269
1-methyl-2-[[2-(phenoxymethyl)phenyl]methoxy]benzene
CID 151703929
1-methyl-3-(phenoxymethyl)pyridin-2-one
CID 11424456
(2-hexoxyphenyl)methyl methanesulfonate
CID 90319134
2-[2-(phenoxymethyl)phenyl]ethanamine
CID 113314861
(2,3-difluorophenyl)methyl methanesulfonate
CID 102620759

Frequently Asked Questions

What is the IUPAC name of [2-(phenoxymethyl)phenyl]methyl methanesulfonate?
The IUPAC name of [2-(phenoxymethyl)phenyl]methyl methanesulfonate (CID 126722935) is [2-(phenoxymethyl)phenyl]methyl methanesulfonate.
What is the SMILES notation for [2-(phenoxymethyl)phenyl]methyl methanesulfonate?
The canonical SMILES for [2-(phenoxymethyl)phenyl]methyl methanesulfonate is CS(=O)(=O)OCc1ccccc1COc1ccccc1.
What is the InChIKey of [2-(phenoxymethyl)phenyl]methyl methanesulfonate?
The InChIKey is DAERTRMCDXXZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4S/c1-20(16,17)19-12-14-8-6-5-7-13(14)11-18-15-9-3-2-4-10-15/h2-10H,11-12H2,1H3.
What are the key properties of [2-(phenoxymethyl)phenyl]methyl methanesulfonate?
[2-(phenoxymethyl)phenyl]methyl methanesulfonate has a molecular weight of 292.36 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(phenoxymethyl)phenyl]methyl methanesulfonate is sourced from PubChem (CID 126722935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).