3-(2,4-dichlorophenyl)-2-phenylpropan-1-ol;methanesulfonic acid

C16H18Cl2O4S — CID 88843715

IUPAC3-(2,4-dichlorophenyl)-2-phenylpropan-1-ol;methanesulfonic acid
SMILESCS(=O)(=O)O.OCC(Cc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C15H14Cl2O.CH4O3S/c16-14-7-6-12(15(17)9-14)8-13(10-18)11-4-2-1-3-5-11;1-5(2,3)4/h1-7,9,13,18H,8,10H2;1H3,(H,2,3,4)
InChIKeyGEORJPLAOQCPJF-UHFFFAOYSA-N
MW377.29 g/mol
LogP3.82
Rot. Bonds4

About 3-(2,4-dichlorophenyl)-2-phenylpropan-1-ol;methanesulfonic acid

3-(2,4-dichlorophenyl)-2-phenylpropan-1-ol;methanesulfonic acid (PubChem CID 88843715) has the molecular formula C16H18Cl2O4S and a molecular weight of 377.29 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-2-phenylpropan-1-ol;methanesulfonic acid.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-2-phenylpropan-1-ol;methanesulfonic acid
PubChem CID88843715
Molecular FormulaC16H18Cl2O4S
Molecular Weight377.29 g/mol
Exact Mass376.03
IUPAC Name3-(2,4-dichlorophenyl)-2-phenylpropan-1-ol;methanesulfonic acid
SMILESCS(=O)(=O)O.OCC(Cc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C15H14Cl2O.CH4O3S/c16-14-7-6-12(15(17)9-14)8-13(10-18)11-4-2-1-3-5-11;1-5(2,3)4/h1-7,9,13,18H,8,10H2;1H3,(H,2,3,4)
InChIKeyGEORJPLAOQCPJF-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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Related Compounds

3-(2,5-dichlorophenyl)-2-phenylpropan-1-ol
CID 66059419
[2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)propyl] methanesulfonate
CID 21499495
2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-1-amine
CID 79442168
[2-(2,4-dichlorophenyl)-1-phenylethyl]hydrazine
CID 105199352
2-(2,4-dichlorophenyl)pentan-1-ol;methanesulfonic acid
CID 88843036
2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol;methanesulfonic acid
CID 88843067
3-[2-(hydroxymethyl)phenyl]-2-phenylpropan-1-ol
CID 101198305
1-(3-bromo-2-methyl-3-phenylpropyl)-2,4-dichlorobenzene
CID 104846527
3-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 79437313
1-(2,4-dichlorophenyl)-N-[(1S)-1-phenylpropyl]methanesulfonamide
CID 38009978
2-[(2,4-dichlorophenyl)methyl]-3-methylbutan-1-ol
CID 66059189
3-(2,4-difluorophenyl)-2-phenylpropan-1-ol
CID 66059206

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-2-phenylpropan-1-ol;methanesulfonic acid?
The IUPAC name of 3-(2,4-dichlorophenyl)-2-phenylpropan-1-ol;methanesulfonic acid (CID 88843715) is 3-(2,4-dichlorophenyl)-2-phenylpropan-1-ol;methanesulfonic acid.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-2-phenylpropan-1-ol;methanesulfonic acid?
The canonical SMILES for 3-(2,4-dichlorophenyl)-2-phenylpropan-1-ol;methanesulfonic acid is CS(=O)(=O)O.OCC(Cc1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-2-phenylpropan-1-ol;methanesulfonic acid?
The InChIKey is GEORJPLAOQCPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O.CH4O3S/c16-14-7-6-12(15(17)9-14)8-13(10-18)11-4-2-1-3-5-11;1-5(2,3)4/h1-7,9,13,18H,8,10H2;1H3,(H,2,3,4).
What are the key properties of 3-(2,4-dichlorophenyl)-2-phenylpropan-1-ol;methanesulfonic acid?
3-(2,4-dichlorophenyl)-2-phenylpropan-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 3-(2,4-dichlorophenyl)-2-phenylpropan-1-ol;methanesulfonic acid is sourced from PubChem (CID 88843715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).