2-butyl-4-(4-methoxyphenyl)sulfonylphenol

C17H20O4S — CID 19967682

IUPAC2-butyl-4-(4-methoxyphenyl)sulfonylphenol
SMILESCCCCc1cc(S(=O)(=O)c2ccc(OC)cc2)ccc1O
InChIInChI=1S/C17H20O4S/c1-3-4-5-13-12-16(10-11-17(13)18)22(19,20)15-8-6-14(21-2)7-9-15/h6-12,18H,3-5H2,1-2H3
InChIKeyPBUYVJPVNZHOFR-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.58
Rot. Bonds6

About 2-butyl-4-(4-methoxyphenyl)sulfonylphenol

2-butyl-4-(4-methoxyphenyl)sulfonylphenol (PubChem CID 19967682) has the molecular formula C17H20O4S and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-butyl-4-(4-methoxyphenyl)sulfonylphenol.

Molecular Properties

Compound Name2-butyl-4-(4-methoxyphenyl)sulfonylphenol
PubChem CID19967682
Molecular FormulaC17H20O4S
Molecular Weight320.41 g/mol
Exact Mass320.11
IUPAC Name2-butyl-4-(4-methoxyphenyl)sulfonylphenol
SMILESCCCCc1cc(S(=O)(=O)c2ccc(OC)cc2)ccc1O
InChIInChI=1S/C17H20O4S/c1-3-4-5-13-12-16(10-11-17(13)18)22(19,20)15-8-6-14(21-2)7-9-15/h6-12,18H,3-5H2,1-2H3
InChIKeyPBUYVJPVNZHOFR-UHFFFAOYSA-N
XLogP3.58
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-(4-methoxyphenyl)sulfonylphenol?
The IUPAC name of 2-butyl-4-(4-methoxyphenyl)sulfonylphenol (CID 19967682) is 2-butyl-4-(4-methoxyphenyl)sulfonylphenol.
What is the SMILES notation for 2-butyl-4-(4-methoxyphenyl)sulfonylphenol?
The canonical SMILES for 2-butyl-4-(4-methoxyphenyl)sulfonylphenol is CCCCc1cc(S(=O)(=O)c2ccc(OC)cc2)ccc1O.
What is the InChIKey of 2-butyl-4-(4-methoxyphenyl)sulfonylphenol?
The InChIKey is PBUYVJPVNZHOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4S/c1-3-4-5-13-12-16(10-11-17(13)18)22(19,20)15-8-6-14(21-2)7-9-15/h6-12,18H,3-5H2,1-2H3.
What are the key properties of 2-butyl-4-(4-methoxyphenyl)sulfonylphenol?
2-butyl-4-(4-methoxyphenyl)sulfonylphenol has a molecular weight of 320.41 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-(4-methoxyphenyl)sulfonylphenol is sourced from PubChem (CID 19967682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).