(2-benzylphenyl)methyl methanesulfonate

C15H16O3S — CID 10446159

IUPAC(2-benzylphenyl)methyl methanesulfonate
SMILESCS(=O)(=O)OCc1ccccc1Cc1ccccc1
InChIInChI=1S/C15H16O3S/c1-19(16,17)18-12-15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyNBEGCOFCMAZRDL-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.75
Rot. Bonds5

About (2-benzylphenyl)methyl methanesulfonate

(2-benzylphenyl)methyl methanesulfonate (PubChem CID 10446159) has the molecular formula C15H16O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is (2-benzylphenyl)methyl methanesulfonate.

Molecular Properties

Compound Name(2-benzylphenyl)methyl methanesulfonate
PubChem CID10446159
Molecular FormulaC15H16O3S
Molecular Weight276.36 g/mol
Exact Mass276.08
IUPAC Name(2-benzylphenyl)methyl methanesulfonate
SMILESCS(=O)(=O)OCc1ccccc1Cc1ccccc1
InChIInChI=1S/C15H16O3S/c1-19(16,17)18-12-15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyNBEGCOFCMAZRDL-UHFFFAOYSA-N
XLogP2.75
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(phenoxymethyl)phenyl]methyl methanesulfonate
CID 126722935
[2-(hydroxymethyl)phenyl]methyl methanesulfonate
CID 91507365
benzyl methanesulfonate;formaldehyde
CID 175233269
(2-cyanophenyl)methyl methanesulfonate
CID 107936439
(2,3-difluorophenyl)methyl methanesulfonate
CID 102620759
2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 118796291
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 162089156
4-phenylmethoxybut-2-enyl methanesulfonate
CID 85381978
benzylbenzene;methoxymethane
CID 161110966
[2-(phenylmethoxymethyl)phenyl]methyl benzenesulfonate
CID 91262778
(2-hexoxyphenyl)methyl methanesulfonate
CID 90319134
[2-(methylsulfonyloxymethyl)phenyl] 2,2-dimethylpropanoate
CID 89389905

Frequently Asked Questions

What is the IUPAC name of (2-benzylphenyl)methyl methanesulfonate?
The IUPAC name of (2-benzylphenyl)methyl methanesulfonate (CID 10446159) is (2-benzylphenyl)methyl methanesulfonate.
What is the SMILES notation for (2-benzylphenyl)methyl methanesulfonate?
The canonical SMILES for (2-benzylphenyl)methyl methanesulfonate is CS(=O)(=O)OCc1ccccc1Cc1ccccc1.
What is the InChIKey of (2-benzylphenyl)methyl methanesulfonate?
The InChIKey is NBEGCOFCMAZRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3S/c1-19(16,17)18-12-15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3.
What are the key properties of (2-benzylphenyl)methyl methanesulfonate?
(2-benzylphenyl)methyl methanesulfonate has a molecular weight of 276.36 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylphenyl)methyl methanesulfonate is sourced from PubChem (CID 10446159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).