2-hydroxybenzoic acid;4-hydroxy-2,3-diphenylbenzenesulfonic acid

C25H20O7S — CID 160857482

IUPAC2-hydroxybenzoic acid;4-hydroxy-2,3-diphenylbenzenesulfonic acid
SMILESO=C(O)c1ccccc1O.O=S(=O)(O)c1ccc(O)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H14O4S.C7H6O3/c19-15-11-12-16(23(20,21)22)18(14-9-5-2-6-10-14)17(15)13-7-3-1-4-8-13;8-6-4-2-1-3-5(6)7(9)10/h1-12,19H,(H,20,21,22);1-4,8H,(H,9,10)
InChIKeySKAXTMVUKSNXKO-UHFFFAOYSA-N
MW464.50 g/mol
LogP5.06
Rot. Bonds4

About 2-hydroxybenzoic acid;4-hydroxy-2,3-diphenylbenzenesulfonic acid

2-hydroxybenzoic acid;4-hydroxy-2,3-diphenylbenzenesulfonic acid (PubChem CID 160857482) has the molecular formula C25H20O7S and a molecular weight of 464.50 g/mol. Its IUPAC name is 2-hydroxybenzoic acid;4-hydroxy-2,3-diphenylbenzenesulfonic acid.

Molecular Properties

Compound Name2-hydroxybenzoic acid;4-hydroxy-2,3-diphenylbenzenesulfonic acid
PubChem CID160857482
Molecular FormulaC25H20O7S
Molecular Weight464.50 g/mol
Exact Mass464.09
IUPAC Name2-hydroxybenzoic acid;4-hydroxy-2,3-diphenylbenzenesulfonic acid
SMILESO=C(O)c1ccccc1O.O=S(=O)(O)c1ccc(O)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H14O4S.C7H6O3/c19-15-11-12-16(23(20,21)22)18(14-9-5-2-6-10-14)17(15)13-7-3-1-4-8-13;8-6-4-2-1-3-5(6)7(9)10/h1-12,19H,(H,20,21,22);1-4,8H,(H,9,10)
InChIKeySKAXTMVUKSNXKO-UHFFFAOYSA-N
XLogP5.06
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.50
LogP ≤ 55.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxybenzoic acid;praseodymium
CID 87786006
disodium;hydride;2-hydroxybenzoic acid;sulfuric acid
CID 173294858
dilithium;hydride;2-hydroxybenzoic acid
CID 173002091
CID 173445349
CID 173445349
2-hydroxybenzoic acid;hydrobromide
CID 70122828
gadolinium;tris(2-hydroxybenzoic acid)
CID 135122115
CID 87183669
CID 87183669
chromium;2-hydroxybenzoic acid
CID 87079476
2-hydroxybenzoic acid;bis(yttrium)
CID 20697161
bis(2-hydroxybenzoic acid);sulfane
CID 172742301
2-hydroxybenzoic acid;silver
CID 87326670
lithium;2-sulfobenzoic acid;chloride
CID 87872456

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzoic acid;4-hydroxy-2,3-diphenylbenzenesulfonic acid?
The IUPAC name of 2-hydroxybenzoic acid;4-hydroxy-2,3-diphenylbenzenesulfonic acid (CID 160857482) is 2-hydroxybenzoic acid;4-hydroxy-2,3-diphenylbenzenesulfonic acid.
What is the SMILES notation for 2-hydroxybenzoic acid;4-hydroxy-2,3-diphenylbenzenesulfonic acid?
The canonical SMILES for 2-hydroxybenzoic acid;4-hydroxy-2,3-diphenylbenzenesulfonic acid is O=C(O)c1ccccc1O.O=S(=O)(O)c1ccc(O)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-hydroxybenzoic acid;4-hydroxy-2,3-diphenylbenzenesulfonic acid?
The InChIKey is SKAXTMVUKSNXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4S.C7H6O3/c19-15-11-12-16(23(20,21)22)18(14-9-5-2-6-10-14)17(15)13-7-3-1-4-8-13;8-6-4-2-1-3-5(6)7(9)10/h1-12,19H,(H,20,21,22);1-4,8H,(H,9,10).
What are the key properties of 2-hydroxybenzoic acid;4-hydroxy-2,3-diphenylbenzenesulfonic acid?
2-hydroxybenzoic acid;4-hydroxy-2,3-diphenylbenzenesulfonic acid has a molecular weight of 464.50 g/mol, XLogP of 5.06, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzoic acid;4-hydroxy-2,3-diphenylbenzenesulfonic acid is sourced from PubChem (CID 160857482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).