1-(benzenesulfonylmethoxy)-2-phenylbenzene

C19H16O3S — CID 15591979

IUPAC1-(benzenesulfonylmethoxy)-2-phenylbenzene
SMILESO=S(=O)(COc1ccccc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16O3S/c20-23(21,17-11-5-2-6-12-17)15-22-19-14-8-7-13-18(19)16-9-3-1-4-10-16/h1-14H,15H2
InChIKeyHBWCHBYPLNYACM-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.16
Rot. Bonds5

About 1-(benzenesulfonylmethoxy)-2-phenylbenzene

1-(benzenesulfonylmethoxy)-2-phenylbenzene (PubChem CID 15591979) has the molecular formula C19H16O3S and a molecular weight of 324.40 g/mol. Its IUPAC name is 1-(benzenesulfonylmethoxy)-2-phenylbenzene.

Molecular Properties

Compound Name1-(benzenesulfonylmethoxy)-2-phenylbenzene
PubChem CID15591979
Molecular FormulaC19H16O3S
Molecular Weight324.40 g/mol
Exact Mass324.08
IUPAC Name1-(benzenesulfonylmethoxy)-2-phenylbenzene
SMILESO=S(=O)(COc1ccccc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16O3S/c20-23(21,17-11-5-2-6-12-17)15-22-19-14-8-7-13-18(19)16-9-3-1-4-10-16/h1-14H,15H2
InChIKeyHBWCHBYPLNYACM-UHFFFAOYSA-N
XLogP4.16
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylsulfanyl-N-[2-(2-phenylphenoxy)ethyl]benzenesulfonamide
CID 2216743
1-[3-(4-methylsulfonylphenoxy)propoxy]-2-phenylbenzene
CID 60600276
1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene
CID 151505413
1-but-3-enoxy-2-phenylbenzene
CID 154014031
2-Biphenylyl Sulfate Potassium Salt
CID 171369906
1-phenyl-2-(2,2,2-trifluoroethoxy)benzene
CID 86122224
2-(2-phenylphenoxy)ethanamine;hydrochloride
CID 2876913
1-(2,2-difluoroethoxy)-2-phenylbenzene
CID 19593759
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
1-(8-chlorooctoxy)-2-phenylbenzene
CID 70493005
N-methyl-3-(2-phenylphenoxy)propan-1-amine;oxalic acid
CID 2949209
2-[2-(2-phenylphenoxy)ethoxy]ethyl hydrogen sulfite
CID 70626312

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonylmethoxy)-2-phenylbenzene?
The IUPAC name of 1-(benzenesulfonylmethoxy)-2-phenylbenzene (CID 15591979) is 1-(benzenesulfonylmethoxy)-2-phenylbenzene.
What is the SMILES notation for 1-(benzenesulfonylmethoxy)-2-phenylbenzene?
The canonical SMILES for 1-(benzenesulfonylmethoxy)-2-phenylbenzene is O=S(=O)(COc1ccccc1-c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonylmethoxy)-2-phenylbenzene?
The InChIKey is HBWCHBYPLNYACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3S/c20-23(21,17-11-5-2-6-12-17)15-22-19-14-8-7-13-18(19)16-9-3-1-4-10-16/h1-14H,15H2.
What are the key properties of 1-(benzenesulfonylmethoxy)-2-phenylbenzene?
1-(benzenesulfonylmethoxy)-2-phenylbenzene has a molecular weight of 324.40 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonylmethoxy)-2-phenylbenzene is sourced from PubChem (CID 15591979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).