4-(2-pentoxyphenyl)sulfonylphenol

C17H20O4S — CID 101144520

IUPAC4-(2-pentoxyphenyl)sulfonylphenol
SMILESCCCCCOc1ccccc1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C17H20O4S/c1-2-3-6-13-21-16-7-4-5-8-17(16)22(19,20)15-11-9-14(18)10-12-15/h4-5,7-12,18H,2-3,6,13H2,1H3
InChIKeyYVGYITQIYUUIAB-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.79
Rot. Bonds7

About 4-(2-pentoxyphenyl)sulfonylphenol

4-(2-pentoxyphenyl)sulfonylphenol (PubChem CID 101144520) has the molecular formula C17H20O4S and a molecular weight of 320.41 g/mol. Its IUPAC name is 4-(2-pentoxyphenyl)sulfonylphenol.

Molecular Properties

Compound Name4-(2-pentoxyphenyl)sulfonylphenol
PubChem CID101144520
Molecular FormulaC17H20O4S
Molecular Weight320.41 g/mol
Exact Mass320.11
IUPAC Name4-(2-pentoxyphenyl)sulfonylphenol
SMILESCCCCCOc1ccccc1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C17H20O4S/c1-2-3-6-13-21-16-7-4-5-8-17(16)22(19,20)15-11-9-14(18)10-12-15/h4-5,7-12,18H,2-3,6,13H2,1H3
InChIKeyYVGYITQIYUUIAB-UHFFFAOYSA-N
XLogP3.79
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-[[2-[[2-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol
CID 67163625
2-octadecoxybenzenesulfonic acid
CID 154123523
N-[3-[2-(benzenesulfonyl)phenoxy]propyl]-N-butylbutan-1-amine
CID 57136840
1-ethylsulfonyl-2-pentoxybenzene;pentane
CID 174761718
2-pentoxybenzenesulfonyl chloride
CID 87516954
2-[2-(4-hydroxyphenyl)sulfonylphenoxy]-N'-(4-pentoxyphenyl)dodecanehydrazide
CID 19742627
2-butoxybenzenesulfonic acid
CID 22564598
2-[4-[4-[[2-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenoxy]phenyl]sulfonylphenol
CID 67162495
4-[2-(2-ethoxy-1-hydroxyethoxy)phenyl]sulfonylphenol
CID 91804797
1-ethoxy-2-(4-ethoxyphenyl)sulfonylbenzene
CID 12592714
1-(2,2-dimethylpropoxy)-2-[4-[6-[4-[2-(2,2-dimethylpropoxy)phenyl]sulfonylphenoxy]hexoxy]phenyl]sulfonylbenzene
CID 139826939
2-butoxybenzenesulfonyl chloride
CID 21253032

Frequently Asked Questions

What is the IUPAC name of 4-(2-pentoxyphenyl)sulfonylphenol?
The IUPAC name of 4-(2-pentoxyphenyl)sulfonylphenol (CID 101144520) is 4-(2-pentoxyphenyl)sulfonylphenol.
What is the SMILES notation for 4-(2-pentoxyphenyl)sulfonylphenol?
The canonical SMILES for 4-(2-pentoxyphenyl)sulfonylphenol is CCCCCOc1ccccc1S(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 4-(2-pentoxyphenyl)sulfonylphenol?
The InChIKey is YVGYITQIYUUIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4S/c1-2-3-6-13-21-16-7-4-5-8-17(16)22(19,20)15-11-9-14(18)10-12-15/h4-5,7-12,18H,2-3,6,13H2,1H3.
What are the key properties of 4-(2-pentoxyphenyl)sulfonylphenol?
4-(2-pentoxyphenyl)sulfonylphenol has a molecular weight of 320.41 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pentoxyphenyl)sulfonylphenol is sourced from PubChem (CID 101144520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).