formaldehyde;4-hydroxybenzenesulfonic acid;4-(4-hydroxyphenyl)sulfonylphenol

C19H18O9S2 — CID 170852655

IUPACformaldehyde;4-hydroxybenzenesulfonic acid;4-(4-hydroxyphenyl)sulfonylphenol
SMILESC=O.O=S(=O)(O)c1ccc(O)cc1.O=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C12H10O4S.C6H6O4S.CH2O/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;7-5-1-3-6(4-2-5)11(8,9)10;1-2/h1-8,13-14H;1-4,7H,(H,8,9,10);1H2
InChIKeyZXKRDOPCCCNQLY-UHFFFAOYSA-N
MW454.48 g/mol
LogP2.38
Rot. Bonds3

About formaldehyde;4-hydroxybenzenesulfonic acid;4-(4-hydroxyphenyl)sulfonylphenol

formaldehyde;4-hydroxybenzenesulfonic acid;4-(4-hydroxyphenyl)sulfonylphenol (PubChem CID 170852655) has the molecular formula C19H18O9S2 and a molecular weight of 454.48 g/mol. Its IUPAC name is formaldehyde;4-hydroxybenzenesulfonic acid;4-(4-hydroxyphenyl)sulfonylphenol.

Molecular Properties

Compound Nameformaldehyde;4-hydroxybenzenesulfonic acid;4-(4-hydroxyphenyl)sulfonylphenol
PubChem CID170852655
Molecular FormulaC19H18O9S2
Molecular Weight454.48 g/mol
Exact Mass454.04
IUPAC Nameformaldehyde;4-hydroxybenzenesulfonic acid;4-(4-hydroxyphenyl)sulfonylphenol
SMILESC=O.O=S(=O)(O)c1ccc(O)cc1.O=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C12H10O4S.C6H6O4S.CH2O/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;7-5-1-3-6(4-2-5)11(8,9)10;1-2/h1-8,13-14H;1-4,7H,(H,8,9,10);1H2
InChIKeyZXKRDOPCCCNQLY-UHFFFAOYSA-N
XLogP2.38
TPSA166.27 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 52.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

CID 131880553
CID 131880553
bis(4-hydroxybenzenesulfonic acid);zinc
CID 87093741
CID 70636806
CID 70636806
sodium;hydride;4-(4-hydroxyphenyl)benzenesulfonic acid
CID 173457046
4-hydroxybenzenesulfonic acid;4-hydroxybenzoic acid
CID 159433039
acetic acid;4-(4-hydroxyphenyl)sulfonylphenol
CID 71431961
4-(4-hydroxyphenoxy)phenol;4-(4-hydroxyphenyl)sulfonylphenol
CID 161283209
4-[[4-[4-[(4-hydroxyphenyl)diazenyl]phenyl]sulfonylphenyl]diazenyl]phenol
CID 135852852
4-hydroxybenzenesulfonic acid;lead(2+);4-oxidobenzenesulfonate
CID 101301315
2-[4-(4-hydroxyphenyl)sulfonylphenyl]prop-2-enoate
CID 21087664
4-[4-(4-chlorophenyl)sulfonylphenyl]phenol
CID 10450227
bis(4-(4-methylphenyl)sulfonylphenol);molecular hydrogen;hydrochloride
CID 160552688

Frequently Asked Questions

What is the IUPAC name of formaldehyde;4-hydroxybenzenesulfonic acid;4-(4-hydroxyphenyl)sulfonylphenol?
The IUPAC name of formaldehyde;4-hydroxybenzenesulfonic acid;4-(4-hydroxyphenyl)sulfonylphenol (CID 170852655) is formaldehyde;4-hydroxybenzenesulfonic acid;4-(4-hydroxyphenyl)sulfonylphenol.
What is the SMILES notation for formaldehyde;4-hydroxybenzenesulfonic acid;4-(4-hydroxyphenyl)sulfonylphenol?
The canonical SMILES for formaldehyde;4-hydroxybenzenesulfonic acid;4-(4-hydroxyphenyl)sulfonylphenol is C=O.O=S(=O)(O)c1ccc(O)cc1.O=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of formaldehyde;4-hydroxybenzenesulfonic acid;4-(4-hydroxyphenyl)sulfonylphenol?
The InChIKey is ZXKRDOPCCCNQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4S.C6H6O4S.CH2O/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;7-5-1-3-6(4-2-5)11(8,9)10;1-2/h1-8,13-14H;1-4,7H,(H,8,9,10);1H2.
What are the key properties of formaldehyde;4-hydroxybenzenesulfonic acid;4-(4-hydroxyphenyl)sulfonylphenol?
formaldehyde;4-hydroxybenzenesulfonic acid;4-(4-hydroxyphenyl)sulfonylphenol has a molecular weight of 454.48 g/mol, XLogP of 2.38, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;4-hydroxybenzenesulfonic acid;4-(4-hydroxyphenyl)sulfonylphenol is sourced from PubChem (CID 170852655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).