4-(4-methoxyphenyl)sulfonylphenol

C13H12O4S — CID 1380529

IUPAC4-(4-methoxyphenyl)sulfonylphenol
SMILESCOc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C13H12O4S/c1-17-11-4-8-13(9-5-11)18(15,16)12-6-2-10(14)3-7-12/h2-9,14H,1H3
InChIKeyVXHUUSKYUDVHOS-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.23
Rot. Bonds3

About 4-(4-methoxyphenyl)sulfonylphenol

4-(4-methoxyphenyl)sulfonylphenol (PubChem CID 1380529) has the molecular formula C13H12O4S and a molecular weight of 264.30 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfonylphenol.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfonylphenol
PubChem CID1380529
Molecular FormulaC13H12O4S
Molecular Weight264.30 g/mol
Exact Mass264.05
IUPAC Name4-(4-methoxyphenyl)sulfonylphenol
SMILESCOc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C13H12O4S/c1-17-11-4-8-13(9-5-11)18(15,16)12-6-2-10(14)3-7-12/h2-9,14H,1H3
InChIKeyVXHUUSKYUDVHOS-UHFFFAOYSA-N
XLogP2.23
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Bisphenol S
CID 6626
4-Hydroxyphenyl 4-isopropoxyphenylsulfone
CID 9904141
SB-3CT
CID 9883002
2,4'-Dihydroxydiphenyl sulfone
CID 79381
4-(4-Allyloxy-benzenesulfonyl)-phenol
CID 2054598
Phenol, 4-((4-(phenylmethoxy)phenyl)sulfonyl)-
CID 113063
3-(4-Methoxybenzenesulfonyl)propanoic acid
CID 3238384
3-(4-Phenoxy-benzenesulfonyl)-propane-1-thiol
CID 10267279
1-Methoxy-2-(phenylsulfonyl)benzene
CID 640912
2,2'-(Sulphonylbis(4,1-phenyleneoxy))bisethanol
CID 95071
Benzene, 1-methoxy-4-(methylsulfonyl)-
CID 137966
4-(4-Methoxy-benzenesulfonyl)-butane-2-thiol
CID 15516780

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfonylphenol?
The IUPAC name of 4-(4-methoxyphenyl)sulfonylphenol (CID 1380529) is 4-(4-methoxyphenyl)sulfonylphenol.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfonylphenol?
The canonical SMILES for 4-(4-methoxyphenyl)sulfonylphenol is COc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfonylphenol?
The InChIKey is VXHUUSKYUDVHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4S/c1-17-11-4-8-13(9-5-11)18(15,16)12-6-2-10(14)3-7-12/h2-9,14H,1H3.
What are the key properties of 4-(4-methoxyphenyl)sulfonylphenol?
4-(4-methoxyphenyl)sulfonylphenol has a molecular weight of 264.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)sulfonylphenol is sourced from PubChem (CID 1380529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).