2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol;methanesulfonic acid

C16H18Cl2O4S — CID 88843067

IUPAC2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol;methanesulfonic acid
SMILESCS(=O)(=O)O.OCC(Cc1ccc(Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C15H14Cl2O.CH4O3S/c16-13-7-5-11(6-8-13)9-12(10-18)14-3-1-2-4-15(14)17;1-5(2,3)4/h1-8,12,18H,9-10H2;1H3,(H,2,3,4)
InChIKeyAWCIBGKGUHMXIK-UHFFFAOYSA-N
MW377.29 g/mol
LogP3.82
Rot. Bonds4

About 2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol;methanesulfonic acid

2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol;methanesulfonic acid (PubChem CID 88843067) has the molecular formula C16H18Cl2O4S and a molecular weight of 377.29 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol;methanesulfonic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol;methanesulfonic acid
PubChem CID88843067
Molecular FormulaC16H18Cl2O4S
Molecular Weight377.29 g/mol
Exact Mass376.03
IUPAC Name2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol;methanesulfonic acid
SMILESCS(=O)(=O)O.OCC(Cc1ccc(Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C15H14Cl2O.CH4O3S/c16-13-7-5-11(6-8-13)9-12(10-18)14-3-1-2-4-15(14)17;1-5(2,3)4/h1-8,12,18H,9-10H2;1H3,(H,2,3,4)
InChIKeyAWCIBGKGUHMXIK-UHFFFAOYSA-N
XLogP3.82
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 53.82
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol;methanesulfonic acid?
The IUPAC name of 2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol;methanesulfonic acid (CID 88843067) is 2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol;methanesulfonic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol;methanesulfonic acid?
The canonical SMILES for 2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol;methanesulfonic acid is CS(=O)(=O)O.OCC(Cc1ccc(Cl)cc1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol;methanesulfonic acid?
The InChIKey is AWCIBGKGUHMXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O.CH4O3S/c16-13-7-5-11(6-8-13)9-12(10-18)14-3-1-2-4-15(14)17;1-5(2,3)4/h1-8,12,18H,9-10H2;1H3,(H,2,3,4).
What are the key properties of 2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol;methanesulfonic acid?
2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol;methanesulfonic acid has a molecular weight of 377.29 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol;methanesulfonic acid is sourced from PubChem (CID 88843067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).