4-[2-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol

C27H24O5S — CID 134487494

IUPAC4-[2-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(Oc2ccc(S(=O)(=O)c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C27H24O5S/c1-27(2,19-3-7-21(28)8-4-19)20-5-11-23(12-6-20)32-24-13-17-26(18-14-24)33(30,31)25-15-9-22(29)10-16-25/h3-18,28-29H,1-2H3
InChIKeyNRJHFNOGQRUGRJ-UHFFFAOYSA-N
MW460.55 g/mol
LogP6.05
Rot. Bonds6

About 4-[2-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol

4-[2-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol (PubChem CID 134487494) has the molecular formula C27H24O5S and a molecular weight of 460.55 g/mol. Its IUPAC name is 4-[2-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol.

Molecular Properties

Compound Name4-[2-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol
PubChem CID134487494
Molecular FormulaC27H24O5S
Molecular Weight460.55 g/mol
Exact Mass460.13
IUPAC Name4-[2-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(Oc2ccc(S(=O)(=O)c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C27H24O5S/c1-27(2,19-3-7-21(28)8-4-19)20-5-11-23(12-6-20)32-24-13-17-26(18-14-24)33(30,31)25-15-9-22(29)10-16-25/h3-18,28-29H,1-2H3
InChIKeyNRJHFNOGQRUGRJ-UHFFFAOYSA-N
XLogP6.05
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.55
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol?
The IUPAC name of 4-[2-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol (CID 134487494) is 4-[2-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol.
What is the SMILES notation for 4-[2-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol?
The canonical SMILES for 4-[2-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol is CC(C)(c1ccc(O)cc1)c1ccc(Oc2ccc(S(=O)(=O)c3ccc(O)cc3)cc2)cc1.
What is the InChIKey of 4-[2-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol?
The InChIKey is NRJHFNOGQRUGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24O5S/c1-27(2,19-3-7-21(28)8-4-19)20-5-11-23(12-6-20)32-24-13-17-26(18-14-24)33(30,31)25-15-9-22(29)10-16-25/h3-18,28-29H,1-2H3.
What are the key properties of 4-[2-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol?
4-[2-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol has a molecular weight of 460.55 g/mol, XLogP of 6.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol is sourced from PubChem (CID 134487494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).