[2-(2-phenylphenyl)phenyl] methanesulfonate

C19H16O3S — CID 174491818

IUPAC[2-(2-phenylphenyl)phenyl] methanesulfonate
SMILESCS(=O)(=O)Oc1ccccc1-c1ccccc1-c1ccccc1
InChIInChI=1S/C19H16O3S/c1-23(20,21)22-19-14-8-7-13-18(19)17-12-6-5-11-16(17)15-9-3-2-4-10-15/h2-14H,1H3
InChIKeyZKOCYZKSDXGUIC-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.36
Rot. Bonds4

About [2-(2-phenylphenyl)phenyl] methanesulfonate

[2-(2-phenylphenyl)phenyl] methanesulfonate (PubChem CID 174491818) has the molecular formula C19H16O3S and a molecular weight of 324.40 g/mol. Its IUPAC name is [2-(2-phenylphenyl)phenyl] methanesulfonate.

Molecular Properties

Compound Name[2-(2-phenylphenyl)phenyl] methanesulfonate
PubChem CID174491818
Molecular FormulaC19H16O3S
Molecular Weight324.40 g/mol
Exact Mass324.08
IUPAC Name[2-(2-phenylphenyl)phenyl] methanesulfonate
SMILESCS(=O)(=O)Oc1ccccc1-c1ccccc1-c1ccccc1
InChIInChI=1S/C19H16O3S/c1-23(20,21)22-19-14-8-7-13-18(19)17-12-6-5-11-16(17)15-9-3-2-4-10-15/h2-14H,1H3
InChIKeyZKOCYZKSDXGUIC-UHFFFAOYSA-N
XLogP4.36
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.36
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

Boric acid (H3BO3), tris(methylphenyl) ester
CID 75875
Phosphorous acid, dinonylphenyl bis(nonylphenyl) ester
CID 3034833
[1,1'-Biphenyl]-4-yl methanesulfonate
CID 7313953
Naphtho[1,2-E][1,2]Oxathiine 3,3-Dioxide
CID 71719377
Cresol, alpha,alpha'-(dimethylphenylene)di-
CID 50962
6-Phenyl-1,2lambda6-benzoxathiine 2,2-dioxide
CID 118729374
6-(4-Methylphenyl)-1,2lambda6-benzoxathiine 2,2-dioxide
CID 118729375
6-(2-Methylphenyl)-1,2lambda6-benzoxathiine 2,2-dioxide
CID 118729376
6-(4-Tert-butylphenyl)-1,2lambda6-benzoxathiine 2,2-dioxide
CID 118729382
Biphenyl-2-yl benzenesulfonate
CID 262310
2-Phenylphenyl 4-methylbenzene-1-sulfonate
CID 262324
Naphthalen-2-yl 2-phenylethenesulfonate
CID 6058603

Frequently Asked Questions

What is the IUPAC name of [2-(2-phenylphenyl)phenyl] methanesulfonate?
The IUPAC name of [2-(2-phenylphenyl)phenyl] methanesulfonate (CID 174491818) is [2-(2-phenylphenyl)phenyl] methanesulfonate.
What is the SMILES notation for [2-(2-phenylphenyl)phenyl] methanesulfonate?
The canonical SMILES for [2-(2-phenylphenyl)phenyl] methanesulfonate is CS(=O)(=O)Oc1ccccc1-c1ccccc1-c1ccccc1.
What is the InChIKey of [2-(2-phenylphenyl)phenyl] methanesulfonate?
The InChIKey is ZKOCYZKSDXGUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3S/c1-23(20,21)22-19-14-8-7-13-18(19)17-12-6-5-11-16(17)15-9-3-2-4-10-15/h2-14H,1H3.
What are the key properties of [2-(2-phenylphenyl)phenyl] methanesulfonate?
[2-(2-phenylphenyl)phenyl] methanesulfonate has a molecular weight of 324.40 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-phenylphenyl)phenyl] methanesulfonate is sourced from PubChem (CID 174491818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).