methanesulfonic acid;2-(2-phenylphenyl)ethanol

C15H18O4S — CID 87871544

IUPACmethanesulfonic acid;2-(2-phenylphenyl)ethanol
SMILESCS(=O)(=O)O.OCCc1ccccc1-c1ccccc1
InChIInChI=1S/C14H14O.CH4O3S/c15-11-10-13-8-4-5-9-14(13)12-6-2-1-3-7-12;1-5(2,3)4/h1-9,15H,10-11H2;1H3,(H,2,3,4)
InChIKeyZQWJUQFVHADXNV-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.39
Rot. Bonds3

About methanesulfonic acid;2-(2-phenylphenyl)ethanol

methanesulfonic acid;2-(2-phenylphenyl)ethanol (PubChem CID 87871544) has the molecular formula C15H18O4S and a molecular weight of 294.37 g/mol. Its IUPAC name is methanesulfonic acid;2-(2-phenylphenyl)ethanol.

Molecular Properties

Compound Namemethanesulfonic acid;2-(2-phenylphenyl)ethanol
PubChem CID87871544
Molecular FormulaC15H18O4S
Molecular Weight294.37 g/mol
Exact Mass294.09
IUPAC Namemethanesulfonic acid;2-(2-phenylphenyl)ethanol
SMILESCS(=O)(=O)O.OCCc1ccccc1-c1ccccc1
InChIInChI=1S/C14H14O.CH4O3S/c15-11-10-13-8-4-5-9-14(13)12-6-2-1-3-7-12;1-5(2,3)4/h1-9,15H,10-11H2;1H3,(H,2,3,4)
InChIKeyZQWJUQFVHADXNV-UHFFFAOYSA-N
XLogP2.39
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2-hydroxyethyl)phenyl]benzoic acid
CID 175206383
1-(2-hydroxyethyl)-5-phenylanthracene-9,10-dione
CID 90195463
1-chloropentane;2-(2-phenylphenyl)ethanol
CID 174777739
1-ethyl-2-[2-(2-phenylphenyl)ethyl]benzene
CID 173431013
1-phenyl-2-[3-(2-phenylphenyl)propyl]benzene
CID 57000067
N-[2-(2-hydroxyethyl)phenyl]methanesulfonamide
CID 117306913
3-(2-chloro-6-phenylphenyl)propan-1-ol;methanesulfonic acid
CID 71430717
acetic acid;1-ethyl-2-phenylbenzene
CID 67681814
N-[2-(2-phenylphenyl)ethyl]propan-2-amine
CID 144862405
carbonic acid;1-hexyl-2-phenylbenzene
CID 67180533
1-butyl-2-phenylbenzene;dihydroxy(oxo)phosphanium
CID 174532098
ethane;bis(1-ethyl-2-phenylbenzene);propane
CID 145452261

Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;2-(2-phenylphenyl)ethanol?
The IUPAC name of methanesulfonic acid;2-(2-phenylphenyl)ethanol (CID 87871544) is methanesulfonic acid;2-(2-phenylphenyl)ethanol.
What is the SMILES notation for methanesulfonic acid;2-(2-phenylphenyl)ethanol?
The canonical SMILES for methanesulfonic acid;2-(2-phenylphenyl)ethanol is CS(=O)(=O)O.OCCc1ccccc1-c1ccccc1.
What is the InChIKey of methanesulfonic acid;2-(2-phenylphenyl)ethanol?
The InChIKey is ZQWJUQFVHADXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O.CH4O3S/c15-11-10-13-8-4-5-9-14(13)12-6-2-1-3-7-12;1-5(2,3)4/h1-9,15H,10-11H2;1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;2-(2-phenylphenyl)ethanol?
methanesulfonic acid;2-(2-phenylphenyl)ethanol has a molecular weight of 294.37 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;2-(2-phenylphenyl)ethanol is sourced from PubChem (CID 87871544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).