2-(4-phenylphenyl)benzenesulfonic acid

C18H14O3S — CID 19793885

IUPAC2-(4-phenylphenyl)benzenesulfonic acid
SMILESO=S(=O)(O)c1ccccc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H14O3S/c19-22(20,21)18-9-5-4-8-17(18)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,(H,19,20,21)
InChIKeyWOOQZGVVQDTWBV-UHFFFAOYSA-N
MW310.37 g/mol
LogP4.27
Rot. Bonds3

About 2-(4-phenylphenyl)benzenesulfonic acid

2-(4-phenylphenyl)benzenesulfonic acid (PubChem CID 19793885) has the molecular formula C18H14O3S and a molecular weight of 310.37 g/mol. Its IUPAC name is 2-(4-phenylphenyl)benzenesulfonic acid.

Molecular Properties

Compound Name2-(4-phenylphenyl)benzenesulfonic acid
PubChem CID19793885
Molecular FormulaC18H14O3S
Molecular Weight310.37 g/mol
Exact Mass310.07
IUPAC Name2-(4-phenylphenyl)benzenesulfonic acid
SMILESO=S(=O)(O)c1ccccc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H14O3S/c19-22(20,21)18-9-5-4-8-17(18)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,(H,19,20,21)
InChIKeyWOOQZGVVQDTWBV-UHFFFAOYSA-N
XLogP4.27
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(4-phenylphenyl)benzenesulfonic acid?
The IUPAC name of 2-(4-phenylphenyl)benzenesulfonic acid (CID 19793885) is 2-(4-phenylphenyl)benzenesulfonic acid.
What is the SMILES notation for 2-(4-phenylphenyl)benzenesulfonic acid?
The canonical SMILES for 2-(4-phenylphenyl)benzenesulfonic acid is O=S(=O)(O)c1ccccc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(4-phenylphenyl)benzenesulfonic acid?
The InChIKey is WOOQZGVVQDTWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O3S/c19-22(20,21)18-9-5-4-8-17(18)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,(H,19,20,21).
What are the key properties of 2-(4-phenylphenyl)benzenesulfonic acid?
2-(4-phenylphenyl)benzenesulfonic acid has a molecular weight of 310.37 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)benzenesulfonic acid is sourced from PubChem (CID 19793885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).