2-Biphenylyl Sulfate Potassium Salt

C12H10KO4S — CID 171369906

IUPAC—
SMILESO=S(=O)(O)Oc1ccccc1-c1ccccc1.[K]
InChIInChI=1S/C12H10O4S.K/c13-17(14,15)16-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9H,(H,13,14,15);
InChIKeyJTCVZDBKYNOCAU-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.15
Rot. Bonds3

About 2-Biphenylyl Sulfate Potassium Salt

2-Biphenylyl Sulfate Potassium Salt (PubChem CID 171369906) has the molecular formula C12H10KO4S and a molecular weight of 289.37 g/mol.

Molecular Properties

Compound Name2-Biphenylyl Sulfate Potassium Salt
PubChem CID171369906
Molecular FormulaC12H10KO4S
Molecular Weight289.37 g/mol
Exact Mass288.99
IUPAC Name—
SMILESO=S(=O)(O)Oc1ccccc1-c1ccccc1.[K]
InChIInChI=1S/C12H10O4S.K/c13-17(14,15)16-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9H,(H,13,14,15);
InChIKeyJTCVZDBKYNOCAU-UHFFFAOYSA-N
XLogP2.15
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-hydroxy-2-phenylphenyl) hydrogen sulfate
CID 56634877
(4-methyl-2-phenylphenyl) hydrogen sulfate
CID 68929282
2-sulfooxybenzoic acid;sulfuric acid
CID 68615389
[2-(2-phenylphenyl)phenyl] methanesulfonate
CID 174491818
(2-sulfooxyphenyl) hydrogen carbonate
CID 70118698
(2-phenylphenyl) 2-bromobenzenesulfonate
CID 26946686
(2-phenylphenoxy)carbonylsulfonylformic acid
CID 54171746
bis(2-phenylphenoxy)phosphane
CID 175384699
formic acid;2-sulfooxybenzoic acid
CID 175322032
methyl 4-(2-phenylphenoxy)sulfonylbenzoate
CID 26526975
(2-phenylphenyl) dihydrogen phosphate
CID 19371408
[2-(4-methoxyphenyl)phenyl] trifluoromethanesulfonate;sulfane
CID 130176801

Frequently Asked Questions

What is the IUPAC name of 2-Biphenylyl Sulfate Potassium Salt?
The IUPAC name of 2-Biphenylyl Sulfate Potassium Salt (CID 171369906) is not available.
What is the SMILES notation for 2-Biphenylyl Sulfate Potassium Salt?
The canonical SMILES for 2-Biphenylyl Sulfate Potassium Salt is O=S(=O)(O)Oc1ccccc1-c1ccccc1.[K].
What is the InChIKey of 2-Biphenylyl Sulfate Potassium Salt?
The InChIKey is JTCVZDBKYNOCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4S.K/c13-17(14,15)16-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9H,(H,13,14,15);.
What are the key properties of 2-Biphenylyl Sulfate Potassium Salt?
2-Biphenylyl Sulfate Potassium Salt has a molecular weight of 289.37 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Biphenylyl Sulfate Potassium Salt is sourced from PubChem (CID 171369906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).