4-(4-hydroxyphenoxy)phenol;4-(4-hydroxyphenyl)sulfonylphenol

C24H20O7S — CID 161283209

IUPAC4-(4-hydroxyphenoxy)phenol;4-(4-hydroxyphenyl)sulfonylphenol
SMILESO=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1.Oc1ccc(Oc2ccc(O)cc2)cc1
InChIInChI=1S/C12H10O4S.C12H10O3/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H;1-8,13-14H
InChIKeyVFJFEJCTVWXVQC-UHFFFAOYSA-N
MW452.48 g/mol
LogP4.82
Rot. Bonds4

About 4-(4-hydroxyphenoxy)phenol;4-(4-hydroxyphenyl)sulfonylphenol

4-(4-hydroxyphenoxy)phenol;4-(4-hydroxyphenyl)sulfonylphenol (PubChem CID 161283209) has the molecular formula C24H20O7S and a molecular weight of 452.48 g/mol. Its IUPAC name is 4-(4-hydroxyphenoxy)phenol;4-(4-hydroxyphenyl)sulfonylphenol.

Molecular Properties

Compound Name4-(4-hydroxyphenoxy)phenol;4-(4-hydroxyphenyl)sulfonylphenol
PubChem CID161283209
Molecular FormulaC24H20O7S
Molecular Weight452.48 g/mol
Exact Mass452.09
IUPAC Name4-(4-hydroxyphenoxy)phenol;4-(4-hydroxyphenyl)sulfonylphenol
SMILESO=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1.Oc1ccc(Oc2ccc(O)cc2)cc1
InChIInChI=1S/C12H10O4S.C12H10O3/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H;1-8,13-14H
InChIKeyVFJFEJCTVWXVQC-UHFFFAOYSA-N
XLogP4.82
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.48
LogP ≤ 54.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenoxy)phenol;4-(4-hydroxyphenyl)sulfonylphenol?
The IUPAC name of 4-(4-hydroxyphenoxy)phenol;4-(4-hydroxyphenyl)sulfonylphenol (CID 161283209) is 4-(4-hydroxyphenoxy)phenol;4-(4-hydroxyphenyl)sulfonylphenol.
What is the SMILES notation for 4-(4-hydroxyphenoxy)phenol;4-(4-hydroxyphenyl)sulfonylphenol?
The canonical SMILES for 4-(4-hydroxyphenoxy)phenol;4-(4-hydroxyphenyl)sulfonylphenol is O=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1.Oc1ccc(Oc2ccc(O)cc2)cc1.
What is the InChIKey of 4-(4-hydroxyphenoxy)phenol;4-(4-hydroxyphenyl)sulfonylphenol?
The InChIKey is VFJFEJCTVWXVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4S.C12H10O3/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H;1-8,13-14H.
What are the key properties of 4-(4-hydroxyphenoxy)phenol;4-(4-hydroxyphenyl)sulfonylphenol?
4-(4-hydroxyphenoxy)phenol;4-(4-hydroxyphenyl)sulfonylphenol has a molecular weight of 452.48 g/mol, XLogP of 4.82, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenoxy)phenol;4-(4-hydroxyphenyl)sulfonylphenol is sourced from PubChem (CID 161283209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).