4-[(E)-3-(4-chlorophenyl)-3-[(E)-1-(4-chlorophenyl)-3-(4-hydroxyphenyl)prop-2-enyl]sulfonylprop-1-enyl]phenol

C30H24Cl2O4S — CID 87210919

IUPAC4-[(E)-3-(4-chlorophenyl)-3-[(E)-1-(4-chlorophenyl)-3-(4-hydroxyphenyl)prop-2-enyl]sulfonylprop-1-enyl]phenol
SMILESO=S(=O)(C(/C=C/c1ccc(O)cc1)c1ccc(Cl)cc1)C(/C=C/c1ccc(O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C30H24Cl2O4S/c31-25-11-7-23(8-12-25)29(19-5-21-1-15-27(33)16-2-21)37(35,36)30(24-9-13-26(32)14-10-24)20-6-22-3-17-28(34)18-4-22/h1-20,29-30,33-34H/b19-5+,20-6+
InChIKeyLMYVERWGZPKTGD-OGBZJDJUSA-N
MW551.49 g/mol
LogP8.03
Rot. Bonds8

About 4-[(E)-3-(4-chlorophenyl)-3-[(E)-1-(4-chlorophenyl)-3-(4-hydroxyphenyl)prop-2-enyl]sulfonylprop-1-enyl]phenol

4-[(E)-3-(4-chlorophenyl)-3-[(E)-1-(4-chlorophenyl)-3-(4-hydroxyphenyl)prop-2-enyl]sulfonylprop-1-enyl]phenol (PubChem CID 87210919) has the molecular formula C30H24Cl2O4S and a molecular weight of 551.49 g/mol. Its IUPAC name is 4-[(E)-3-(4-chlorophenyl)-3-[(E)-1-(4-chlorophenyl)-3-(4-hydroxyphenyl)prop-2-enyl]sulfonylprop-1-enyl]phenol.

Molecular Properties

Compound Name4-[(E)-3-(4-chlorophenyl)-3-[(E)-1-(4-chlorophenyl)-3-(4-hydroxyphenyl)prop-2-enyl]sulfonylprop-1-enyl]phenol
PubChem CID87210919
Molecular FormulaC30H24Cl2O4S
Molecular Weight551.49 g/mol
Exact Mass550.08
IUPAC Name4-[(E)-3-(4-chlorophenyl)-3-[(E)-1-(4-chlorophenyl)-3-(4-hydroxyphenyl)prop-2-enyl]sulfonylprop-1-enyl]phenol
SMILESO=S(=O)(C(/C=C/c1ccc(O)cc1)c1ccc(Cl)cc1)C(/C=C/c1ccc(O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C30H24Cl2O4S/c31-25-11-7-23(8-12-25)29(19-5-21-1-15-27(33)16-2-21)37(35,36)30(24-9-13-26(32)14-10-24)20-6-22-3-17-28(34)18-4-22/h1-20,29-30,33-34H/b19-5+,20-6+
InChIKeyLMYVERWGZPKTGD-OGBZJDJUSA-N
XLogP8.03
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.49
LogP ≤ 58.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-(4-chlorophenyl)-3-[(E)-1-(4-chlorophenyl)-3-(4-hydroxyphenyl)prop-2-enyl]sulfonylprop-1-enyl]phenol?
The IUPAC name of 4-[(E)-3-(4-chlorophenyl)-3-[(E)-1-(4-chlorophenyl)-3-(4-hydroxyphenyl)prop-2-enyl]sulfonylprop-1-enyl]phenol (CID 87210919) is 4-[(E)-3-(4-chlorophenyl)-3-[(E)-1-(4-chlorophenyl)-3-(4-hydroxyphenyl)prop-2-enyl]sulfonylprop-1-enyl]phenol.
What is the SMILES notation for 4-[(E)-3-(4-chlorophenyl)-3-[(E)-1-(4-chlorophenyl)-3-(4-hydroxyphenyl)prop-2-enyl]sulfonylprop-1-enyl]phenol?
The canonical SMILES for 4-[(E)-3-(4-chlorophenyl)-3-[(E)-1-(4-chlorophenyl)-3-(4-hydroxyphenyl)prop-2-enyl]sulfonylprop-1-enyl]phenol is O=S(=O)(C(/C=C/c1ccc(O)cc1)c1ccc(Cl)cc1)C(/C=C/c1ccc(O)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-[(E)-3-(4-chlorophenyl)-3-[(E)-1-(4-chlorophenyl)-3-(4-hydroxyphenyl)prop-2-enyl]sulfonylprop-1-enyl]phenol?
The InChIKey is LMYVERWGZPKTGD-OGBZJDJUSA-N. The full InChI is InChI=1S/C30H24Cl2O4S/c31-25-11-7-23(8-12-25)29(19-5-21-1-15-27(33)16-2-21)37(35,36)30(24-9-13-26(32)14-10-24)20-6-22-3-17-28(34)18-4-22/h1-20,29-30,33-34H/b19-5+,20-6+.
What are the key properties of 4-[(E)-3-(4-chlorophenyl)-3-[(E)-1-(4-chlorophenyl)-3-(4-hydroxyphenyl)prop-2-enyl]sulfonylprop-1-enyl]phenol?
4-[(E)-3-(4-chlorophenyl)-3-[(E)-1-(4-chlorophenyl)-3-(4-hydroxyphenyl)prop-2-enyl]sulfonylprop-1-enyl]phenol has a molecular weight of 551.49 g/mol, XLogP of 8.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-(4-chlorophenyl)-3-[(E)-1-(4-chlorophenyl)-3-(4-hydroxyphenyl)prop-2-enyl]sulfonylprop-1-enyl]phenol is sourced from PubChem (CID 87210919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).