3-[4-(2-hydroxy-1-phenylethoxy)phenyl]sulfonylphenol

C20H18O5S — CID 149162493

IUPAC3-[4-(2-hydroxy-1-phenylethoxy)phenyl]sulfonylphenol
SMILESO=S(=O)(c1ccc(OC(CO)c2ccccc2)cc1)c1cccc(O)c1
InChIInChI=1S/C20H18O5S/c21-14-20(15-5-2-1-3-6-15)25-17-9-11-18(12-10-17)26(23,24)19-8-4-7-16(22)13-19/h1-13,20-22H,14H2
InChIKeyVALWFIQHZRFPGT-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.34
Rot. Bonds6

About 3-[4-(2-hydroxy-1-phenylethoxy)phenyl]sulfonylphenol

3-[4-(2-hydroxy-1-phenylethoxy)phenyl]sulfonylphenol (PubChem CID 149162493) has the molecular formula C20H18O5S and a molecular weight of 370.43 g/mol. Its IUPAC name is 3-[4-(2-hydroxy-1-phenylethoxy)phenyl]sulfonylphenol.

Molecular Properties

Compound Name3-[4-(2-hydroxy-1-phenylethoxy)phenyl]sulfonylphenol
PubChem CID149162493
Molecular FormulaC20H18O5S
Molecular Weight370.43 g/mol
Exact Mass370.09
IUPAC Name3-[4-(2-hydroxy-1-phenylethoxy)phenyl]sulfonylphenol
SMILESO=S(=O)(c1ccc(OC(CO)c2ccccc2)cc1)c1cccc(O)c1
InChIInChI=1S/C20H18O5S/c21-14-20(15-5-2-1-3-6-15)25-17-9-11-18(12-10-17)26(23,24)19-8-4-7-16(22)13-19/h1-13,20-22H,14H2
InChIKeyVALWFIQHZRFPGT-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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Related Compounds

4-[4-(2-hydroxy-1-phenylethoxy)phenyl]sulfonylphenol
CID 15250469
3-(3-hydroxyphenyl)sulfonylphenol;zinc
CID 70457337
3-aminophenol;benzenesulfonylbenzene
CID 68932329
3-[(3-hydroxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 22602745
1,2-bis[[4-[4-(1-phenylethoxy)phenyl]sulfonylphenoxy]methyl]benzene
CID 139826992
4-[3-[4-[4-(benzenesulfonyl)phenyl]butyl]phenyl]sulfonylphenol
CID 68776977
1-(benzenesulfonyl)-4-[4-[4-[4-(benzenesulfonyl)phenoxy]phenyl]sulfonylphenoxy]benzene
CID 175665287
1-benzhydryl-4-(4-benzhydrylphenyl)sulfonylbenzene
CID 175481180
3-(3-methylphenyl)sulfonylphenol
CID 134285490
N-methyl-2-(4-methylsulfonylphenoxy)-2-phenylethanamine
CID 62485758
1,3-bis[[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]methyl]benzene
CID 139826967
2-(benzenesulfonyl)-5-propan-2-yloxyphenol
CID 22133617

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxy-1-phenylethoxy)phenyl]sulfonylphenol?
The IUPAC name of 3-[4-(2-hydroxy-1-phenylethoxy)phenyl]sulfonylphenol (CID 149162493) is 3-[4-(2-hydroxy-1-phenylethoxy)phenyl]sulfonylphenol.
What is the SMILES notation for 3-[4-(2-hydroxy-1-phenylethoxy)phenyl]sulfonylphenol?
The canonical SMILES for 3-[4-(2-hydroxy-1-phenylethoxy)phenyl]sulfonylphenol is O=S(=O)(c1ccc(OC(CO)c2ccccc2)cc1)c1cccc(O)c1.
What is the InChIKey of 3-[4-(2-hydroxy-1-phenylethoxy)phenyl]sulfonylphenol?
The InChIKey is VALWFIQHZRFPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O5S/c21-14-20(15-5-2-1-3-6-15)25-17-9-11-18(12-10-17)26(23,24)19-8-4-7-16(22)13-19/h1-13,20-22H,14H2.
What are the key properties of 3-[4-(2-hydroxy-1-phenylethoxy)phenyl]sulfonylphenol?
3-[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 3-[4-(2-hydroxy-1-phenylethoxy)phenyl]sulfonylphenol is sourced from PubChem (CID 149162493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).