4-[4-[2-(2-hydroxyethoxy)propan-2-yl]phenyl]sulfonylphenol

C17H20O5S — CID 143729233

IUPAC4-[4-[2-(2-hydroxyethoxy)propan-2-yl]phenyl]sulfonylphenol
SMILESCC(C)(OCCO)c1ccc(S(=O)(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C17H20O5S/c1-17(2,22-12-11-18)13-3-7-15(8-4-13)23(20,21)16-9-5-14(19)6-10-16/h3-10,18-19H,11-12H2,1-2H3
InChIKeyURICACCWOBAJJO-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.47
Rot. Bonds6

About 4-[4-[2-(2-hydroxyethoxy)propan-2-yl]phenyl]sulfonylphenol

4-[4-[2-(2-hydroxyethoxy)propan-2-yl]phenyl]sulfonylphenol (PubChem CID 143729233) has the molecular formula C17H20O5S and a molecular weight of 336.41 g/mol. Its IUPAC name is 4-[4-[2-(2-hydroxyethoxy)propan-2-yl]phenyl]sulfonylphenol.

Molecular Properties

Compound Name4-[4-[2-(2-hydroxyethoxy)propan-2-yl]phenyl]sulfonylphenol
PubChem CID143729233
Molecular FormulaC17H20O5S
Molecular Weight336.41 g/mol
Exact Mass336.10
IUPAC Name4-[4-[2-(2-hydroxyethoxy)propan-2-yl]phenyl]sulfonylphenol
SMILESCC(C)(OCCO)c1ccc(S(=O)(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C17H20O5S/c1-17(2,22-12-11-18)13-3-7-15(8-4-13)23(20,21)16-9-5-14(19)6-10-16/h3-10,18-19H,11-12H2,1-2H3
InChIKeyURICACCWOBAJJO-UHFFFAOYSA-N
XLogP2.47
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[2-[[4-[4-(2-hydroxypropan-2-yl)phenyl]sulfonylphenoxy]methoxymethoxy]propan-2-yl]phenyl]sulfonylphenol
CID 167250725
4-[4-(2-hydroxyethoxy)phenyl]sulfonylphenol
CID 71105889
ethane;2-[2-(4-methylphenyl)propan-2-yloxy]ethanol
CID 177334034
4-[2-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol
CID 134487494
CID 70636806
CID 70636806
CID 170847652
CID 170847652
2-hydroxyethyl 4-tert-butylbenzenesulfonate
CID 169441339
4-[2-[4-[4-(4-chlorophenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol
CID 176913788
acetic acid;4-(4-hydroxyphenyl)sulfonylphenol
CID 71431961
4-(4-hydroxyphenoxy)phenol;4-(4-hydroxyphenyl)sulfonylphenol
CID 161283209
4-[4-[2-[2-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethoxy]ethoxy]phenyl]sulfonylphenol
CID 22020843
4-[4-[10-[4-(4-methoxyphenyl)sulfonylphenoxy]decoxy]phenyl]sulfonylphenol
CID 139963560

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2-hydroxyethoxy)propan-2-yl]phenyl]sulfonylphenol?
The IUPAC name of 4-[4-[2-(2-hydroxyethoxy)propan-2-yl]phenyl]sulfonylphenol (CID 143729233) is 4-[4-[2-(2-hydroxyethoxy)propan-2-yl]phenyl]sulfonylphenol.
What is the SMILES notation for 4-[4-[2-(2-hydroxyethoxy)propan-2-yl]phenyl]sulfonylphenol?
The canonical SMILES for 4-[4-[2-(2-hydroxyethoxy)propan-2-yl]phenyl]sulfonylphenol is CC(C)(OCCO)c1ccc(S(=O)(=O)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[4-[2-(2-hydroxyethoxy)propan-2-yl]phenyl]sulfonylphenol?
The InChIKey is URICACCWOBAJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O5S/c1-17(2,22-12-11-18)13-3-7-15(8-4-13)23(20,21)16-9-5-14(19)6-10-16/h3-10,18-19H,11-12H2,1-2H3.
What are the key properties of 4-[4-[2-(2-hydroxyethoxy)propan-2-yl]phenyl]sulfonylphenol?
4-[4-[2-(2-hydroxyethoxy)propan-2-yl]phenyl]sulfonylphenol has a molecular weight of 336.41 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2-hydroxyethoxy)propan-2-yl]phenyl]sulfonylphenol is sourced from PubChem (CID 143729233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).