4-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonylphenol

C19H15ClO4S — CID 6481349

IUPAC4-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonylphenol
SMILESO=S(=O)(c1ccc(O)cc1)c1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H15ClO4S/c20-15-3-1-14(2-4-15)13-24-17-7-11-19(12-8-17)25(22,23)18-9-5-16(21)6-10-18/h1-12,21H,13H2
InChIKeyVNJVQTIODPTUIG-UHFFFAOYSA-N
MW374.85 g/mol
LogP4.46
Rot. Bonds5

About 4-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonylphenol

4-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonylphenol (PubChem CID 6481349) has the molecular formula C19H15ClO4S and a molecular weight of 374.85 g/mol. Its IUPAC name is 4-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonylphenol.

Molecular Properties

Compound Name4-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonylphenol
PubChem CID6481349
Molecular FormulaC19H15ClO4S
Molecular Weight374.85 g/mol
Exact Mass374.04
IUPAC Name4-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonylphenol
SMILESO=S(=O)(c1ccc(O)cc1)c1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H15ClO4S/c20-15-3-1-14(2-4-15)13-24-17-7-11-19(12-8-17)25(22,23)18-9-5-16(21)6-10-18/h1-12,21H,13H2
InChIKeyVNJVQTIODPTUIG-UHFFFAOYSA-N
XLogP4.46
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonylphenol?
The IUPAC name of 4-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonylphenol (CID 6481349) is 4-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonylphenol.
What is the SMILES notation for 4-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonylphenol?
The canonical SMILES for 4-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonylphenol is O=S(=O)(c1ccc(O)cc1)c1ccc(OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonylphenol?
The InChIKey is VNJVQTIODPTUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClO4S/c20-15-3-1-14(2-4-15)13-24-17-7-11-19(12-8-17)25(22,23)18-9-5-16(21)6-10-18/h1-12,21H,13H2.
What are the key properties of 4-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonylphenol?
4-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonylphenol has a molecular weight of 374.85 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonylphenol is sourced from PubChem (CID 6481349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).