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

C27H23ClO4S — CID 176913788

IUPAC4-[2-[4-[4-(4-chlorophenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C27H23ClO4S/c1-27(2,19-3-9-22(29)10-4-19)20-5-11-23(12-6-20)32-24-13-17-26(18-14-24)33(30,31)25-15-7-21(28)8-16-25/h3-18,29H,1-2H3
InChIKeyKUAJICBFMODZLR-UHFFFAOYSA-N
MW479.00 g/mol
LogP7.00
Rot. Bonds6

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

4-[2-[4-[4-(4-chlorophenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol (PubChem CID 176913788) has the molecular formula C27H23ClO4S and a molecular weight of 479.00 g/mol. Its IUPAC name is 4-[2-[4-[4-(4-chlorophenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol.

Molecular Properties

Compound Name4-[2-[4-[4-(4-chlorophenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol
PubChem CID176913788
Molecular FormulaC27H23ClO4S
Molecular Weight479.00 g/mol
Exact Mass478.10
IUPAC Name4-[2-[4-[4-(4-chlorophenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C27H23ClO4S/c1-27(2,19-3-9-22(29)10-4-19)20-5-11-23(12-6-20)32-24-13-17-26(18-14-24)33(30,31)25-15-7-21(28)8-16-25/h3-18,29H,1-2H3
InChIKeyKUAJICBFMODZLR-UHFFFAOYSA-N
XLogP7.00
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.00
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol
CID 134487494
CID 170847652
CID 170847652
4-(4-hydroxyphenoxy)phenol;4-(4-hydroxyphenyl)sulfonylphenol
CID 161283209
4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenoxy]phenol
CID 90321363
methane;1-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-4-methylbenzene
CID 161249508
1-methyl-4-[4-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene
CID 142408445
4-[4-(4-chlorophenyl)sulfonylphenyl]phenol
CID 10450227
4-[2-[4-(4-bromophenoxy)phenyl]propan-2-yl]phenol
CID 14710986
1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonylphenyl]phenyl]sulfonyl-4-methylbenzene
CID 158493330
1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]-4-methylbenzene;1-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene
CID 158201079
bis[4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]methanone;methane
CID 159686402
1-chloro-4-(4-chlorophenyl)sulfonylbenzene;4-(4-hydroxyphenyl)phenol;4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;1-[4-(4-methoxyphenyl)sulfonylphenoxy]-4-[2-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylbenzene;4-[2-[4-[4-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-1-methyl-2-prop-2-enylbenzene
CID 165016490

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[4-(4-chlorophenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol?
The IUPAC name of 4-[2-[4-[4-(4-chlorophenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol (CID 176913788) is 4-[2-[4-[4-(4-chlorophenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol.
What is the SMILES notation for 4-[2-[4-[4-(4-chlorophenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol?
The canonical SMILES for 4-[2-[4-[4-(4-chlorophenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol is CC(C)(c1ccc(O)cc1)c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of 4-[2-[4-[4-(4-chlorophenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol?
The InChIKey is KUAJICBFMODZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClO4S/c1-27(2,19-3-9-22(29)10-4-19)20-5-11-23(12-6-20)32-24-13-17-26(18-14-24)33(30,31)25-15-7-21(28)8-16-25/h3-18,29H,1-2H3.
What are the key properties of 4-[2-[4-[4-(4-chlorophenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol?
4-[2-[4-[4-(4-chlorophenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol has a molecular weight of 479.00 g/mol, XLogP of 7.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[4-(4-chlorophenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol is sourced from PubChem (CID 176913788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).