4-(4-hydroxyphenyl)sulfonylphenol;naphthalene-1,2-diol

C22H18O6S — CID 158408430

IUPAC4-(4-hydroxyphenyl)sulfonylphenol;naphthalene-1,2-diol
SMILESO=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1.Oc1ccc2ccccc2c1O
InChIInChI=1S/C12H10O4S.C10H8O2/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-8,13-14H;1-6,11-12H
InChIKeyGYZKSWHBQXSPCH-UHFFFAOYSA-N
MW410.45 g/mol
LogP4.18
Rot. Bonds2

About 4-(4-hydroxyphenyl)sulfonylphenol;naphthalene-1,2-diol

4-(4-hydroxyphenyl)sulfonylphenol;naphthalene-1,2-diol (PubChem CID 158408430) has the molecular formula C22H18O6S and a molecular weight of 410.45 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)sulfonylphenol;naphthalene-1,2-diol.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)sulfonylphenol;naphthalene-1,2-diol
PubChem CID158408430
Molecular FormulaC22H18O6S
Molecular Weight410.45 g/mol
Exact Mass410.08
IUPAC Name4-(4-hydroxyphenyl)sulfonylphenol;naphthalene-1,2-diol
SMILESO=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1.Oc1ccc2ccccc2c1O
InChIInChI=1S/C12H10O4S.C10H8O2/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-8,13-14H;1-6,11-12H
InChIKeyGYZKSWHBQXSPCH-UHFFFAOYSA-N
XLogP4.18
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 54.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

naphthalene-1,2-diol;naphthalene-1,4-diol
CID 157322625
CID 70636806
CID 70636806
naphthalene-1,2-diol;naphthalene-1,6-diol
CID 160740349
tetrakis(carbon dioxide);naphthalene-1,2-diol;naphthalene-1,3-diol;naphthalene-1,4-diol;naphthalene-2,6-diol
CID 165025673
4-[[4-[4-[(4-hydroxyphenyl)diazenyl]phenyl]sulfonylphenyl]diazenyl]phenol
CID 135852852
4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]diazenyl]-N-oxobenzenesulfonamide
CID 147622226
3,4-dihydroxyphthalic acid;naphthalene-1,2-diol
CID 70365447
4-[4-hydroxy-3-(3-naphthalen-1-ylphenyl)phenyl]sulfonyl-2-(3-naphthalen-1-ylphenyl)phenol
CID 176827854
anthracene-1,2,10-triol
CID 11342
CID 89262500
CID 89262500
2-methylsulfonylnaphthalen-1-ol
CID 22125714
4-[4-[[2-[[4-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol
CID 22020849

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)sulfonylphenol;naphthalene-1,2-diol?
The IUPAC name of 4-(4-hydroxyphenyl)sulfonylphenol;naphthalene-1,2-diol (CID 158408430) is 4-(4-hydroxyphenyl)sulfonylphenol;naphthalene-1,2-diol.
What is the SMILES notation for 4-(4-hydroxyphenyl)sulfonylphenol;naphthalene-1,2-diol?
The canonical SMILES for 4-(4-hydroxyphenyl)sulfonylphenol;naphthalene-1,2-diol is O=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1.Oc1ccc2ccccc2c1O.
What is the InChIKey of 4-(4-hydroxyphenyl)sulfonylphenol;naphthalene-1,2-diol?
The InChIKey is GYZKSWHBQXSPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4S.C10H8O2/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-8,13-14H;1-6,11-12H.
What are the key properties of 4-(4-hydroxyphenyl)sulfonylphenol;naphthalene-1,2-diol?
4-(4-hydroxyphenyl)sulfonylphenol;naphthalene-1,2-diol has a molecular weight of 410.45 g/mol, XLogP of 4.18, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)sulfonylphenol;naphthalene-1,2-diol is sourced from PubChem (CID 158408430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).