4-[2-hydroxy-3-(4-phenylphenoxy)propyl]sulfanylphenol

C21H20O3S — CID 14848950

IUPAC4-[2-hydroxy-3-(4-phenylphenoxy)propyl]sulfanylphenol
SMILESOc1ccc(SCC(O)COc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H20O3S/c22-18-8-12-21(13-9-18)25-15-19(23)14-24-20-10-6-17(7-11-20)16-4-2-1-3-5-16/h1-13,19,22-23H,14-15H2
InChIKeyUEWHUWAZJKSLFD-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.59
Rot. Bonds7

About 4-[2-hydroxy-3-(4-phenylphenoxy)propyl]sulfanylphenol

4-[2-hydroxy-3-(4-phenylphenoxy)propyl]sulfanylphenol (PubChem CID 14848950) has the molecular formula C21H20O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is 4-[2-hydroxy-3-(4-phenylphenoxy)propyl]sulfanylphenol.

Molecular Properties

Compound Name4-[2-hydroxy-3-(4-phenylphenoxy)propyl]sulfanylphenol
PubChem CID14848950
Molecular FormulaC21H20O3S
Molecular Weight352.46 g/mol
Exact Mass352.11
IUPAC Name4-[2-hydroxy-3-(4-phenylphenoxy)propyl]sulfanylphenol
SMILESOc1ccc(SCC(O)COc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H20O3S/c22-18-8-12-21(13-9-18)25-15-19(23)14-24-20-10-6-17(7-11-20)16-4-2-1-3-5-16/h1-13,19,22-23H,14-15H2
InChIKeyUEWHUWAZJKSLFD-UHFFFAOYSA-N
XLogP4.59
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-3-(4-phenylphenoxy)propyl]sulfanylphenol?
The IUPAC name of 4-[2-hydroxy-3-(4-phenylphenoxy)propyl]sulfanylphenol (CID 14848950) is 4-[2-hydroxy-3-(4-phenylphenoxy)propyl]sulfanylphenol.
What is the SMILES notation for 4-[2-hydroxy-3-(4-phenylphenoxy)propyl]sulfanylphenol?
The canonical SMILES for 4-[2-hydroxy-3-(4-phenylphenoxy)propyl]sulfanylphenol is Oc1ccc(SCC(O)COc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[2-hydroxy-3-(4-phenylphenoxy)propyl]sulfanylphenol?
The InChIKey is UEWHUWAZJKSLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O3S/c22-18-8-12-21(13-9-18)25-15-19(23)14-24-20-10-6-17(7-11-20)16-4-2-1-3-5-16/h1-13,19,22-23H,14-15H2.
What are the key properties of 4-[2-hydroxy-3-(4-phenylphenoxy)propyl]sulfanylphenol?
4-[2-hydroxy-3-(4-phenylphenoxy)propyl]sulfanylphenol has a molecular weight of 352.46 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-3-(4-phenylphenoxy)propyl]sulfanylphenol is sourced from PubChem (CID 14848950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).