4-[4-(2-hydroxy-1-phenylethoxy)phenyl]sulfonylphenol

C20H18O5S — CID 15250469

IUPAC4-[4-(2-hydroxy-1-phenylethoxy)phenyl]sulfonylphenol
SMILESO=S(=O)(c1ccc(O)cc1)c1ccc(OC(CO)c2ccccc2)cc1
InChIInChI=1S/C20H18O5S/c21-14-20(15-4-2-1-3-5-15)25-17-8-12-19(13-9-17)26(23,24)18-10-6-16(22)7-11-18/h1-13,20-22H,14H2
InChIKeyAATMIFWFURTTRN-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.34
Rot. Bonds6

About 4-[4-(2-hydroxy-1-phenylethoxy)phenyl]sulfonylphenol

4-[4-(2-hydroxy-1-phenylethoxy)phenyl]sulfonylphenol (PubChem CID 15250469) has the molecular formula C20H18O5S and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-[4-(2-hydroxy-1-phenylethoxy)phenyl]sulfonylphenol.

Molecular Properties

Compound Name4-[4-(2-hydroxy-1-phenylethoxy)phenyl]sulfonylphenol
PubChem CID15250469
Molecular FormulaC20H18O5S
Molecular Weight370.43 g/mol
Exact Mass370.09
IUPAC Name4-[4-(2-hydroxy-1-phenylethoxy)phenyl]sulfonylphenol
SMILESO=S(=O)(c1ccc(O)cc1)c1ccc(OC(CO)c2ccccc2)cc1
InChIInChI=1S/C20H18O5S/c21-14-20(15-4-2-1-3-5-15)25-17-8-12-19(13-9-17)26(23,24)18-10-6-16(22)7-11-18/h1-13,20-22H,14H2
InChIKeyAATMIFWFURTTRN-UHFFFAOYSA-N
XLogP3.34
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxy-1-phenylethoxy)phenyl]sulfonylphenol?
The IUPAC name of 4-[4-(2-hydroxy-1-phenylethoxy)phenyl]sulfonylphenol (CID 15250469) is 4-[4-(2-hydroxy-1-phenylethoxy)phenyl]sulfonylphenol.
What is the SMILES notation for 4-[4-(2-hydroxy-1-phenylethoxy)phenyl]sulfonylphenol?
The canonical SMILES for 4-[4-(2-hydroxy-1-phenylethoxy)phenyl]sulfonylphenol is O=S(=O)(c1ccc(O)cc1)c1ccc(OC(CO)c2ccccc2)cc1.
What is the InChIKey of 4-[4-(2-hydroxy-1-phenylethoxy)phenyl]sulfonylphenol?
The InChIKey is AATMIFWFURTTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O5S/c21-14-20(15-4-2-1-3-5-15)25-17-8-12-19(13-9-17)26(23,24)18-10-6-16(22)7-11-18/h1-13,20-22H,14H2.
What are the key properties of 4-[4-(2-hydroxy-1-phenylethoxy)phenyl]sulfonylphenol?
4-[4-(2-hydroxy-1-phenylethoxy)phenyl]sulfonylphenol has a molecular weight of 370.43 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxy-1-phenylethoxy)phenyl]sulfonylphenol is sourced from PubChem (CID 15250469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).