1-[2-[(3,5-dichlorophenyl)sulfonylmethyl]-4-methylphenyl]ethenol

C16H14Cl2O3S — CID 161259063

IUPAC1-[2-[(3,5-dichlorophenyl)sulfonylmethyl]-4-methylphenyl]ethenol
SMILESC=C(O)c1ccc(C)cc1CS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H14Cl2O3S/c1-10-3-4-16(11(2)19)12(5-10)9-22(20,21)15-7-13(17)6-14(18)8-15/h3-8,19H,2,9H2,1H3
InChIKeyZUBHIRSXLPICKL-UHFFFAOYSA-N
MW357.26 g/mol
LogP4.80
Rot. Bonds4

About 1-[2-[(3,5-dichlorophenyl)sulfonylmethyl]-4-methylphenyl]ethenol

1-[2-[(3,5-dichlorophenyl)sulfonylmethyl]-4-methylphenyl]ethenol (PubChem CID 161259063) has the molecular formula C16H14Cl2O3S and a molecular weight of 357.26 g/mol. Its IUPAC name is 1-[2-[(3,5-dichlorophenyl)sulfonylmethyl]-4-methylphenyl]ethenol.

Molecular Properties

Compound Name1-[2-[(3,5-dichlorophenyl)sulfonylmethyl]-4-methylphenyl]ethenol
PubChem CID161259063
Molecular FormulaC16H14Cl2O3S
Molecular Weight357.26 g/mol
Exact Mass356.00
IUPAC Name1-[2-[(3,5-dichlorophenyl)sulfonylmethyl]-4-methylphenyl]ethenol
SMILESC=C(O)c1ccc(C)cc1CS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H14Cl2O3S/c1-10-3-4-16(11(2)19)12(5-10)9-22(20,21)15-7-13(17)6-14(18)8-15/h3-8,19H,2,9H2,1H3
InChIKeyZUBHIRSXLPICKL-UHFFFAOYSA-N
XLogP4.80
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.26
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,5-dichlorophenyl)sulfonylmethyl]-4-methylphenyl]ethenol?
The IUPAC name of 1-[2-[(3,5-dichlorophenyl)sulfonylmethyl]-4-methylphenyl]ethenol (CID 161259063) is 1-[2-[(3,5-dichlorophenyl)sulfonylmethyl]-4-methylphenyl]ethenol.
What is the SMILES notation for 1-[2-[(3,5-dichlorophenyl)sulfonylmethyl]-4-methylphenyl]ethenol?
The canonical SMILES for 1-[2-[(3,5-dichlorophenyl)sulfonylmethyl]-4-methylphenyl]ethenol is C=C(O)c1ccc(C)cc1CS(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-[2-[(3,5-dichlorophenyl)sulfonylmethyl]-4-methylphenyl]ethenol?
The InChIKey is ZUBHIRSXLPICKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O3S/c1-10-3-4-16(11(2)19)12(5-10)9-22(20,21)15-7-13(17)6-14(18)8-15/h3-8,19H,2,9H2,1H3.
What are the key properties of 1-[2-[(3,5-dichlorophenyl)sulfonylmethyl]-4-methylphenyl]ethenol?
1-[2-[(3,5-dichlorophenyl)sulfonylmethyl]-4-methylphenyl]ethenol has a molecular weight of 357.26 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,5-dichlorophenyl)sulfonylmethyl]-4-methylphenyl]ethenol is sourced from PubChem (CID 161259063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).