4-(4-hydroxy-2,5-dipropylphenyl)sulfonyl-2,5-dipropylphenol

C24H34O4S — CID 19099802

IUPAC4-(4-hydroxy-2,5-dipropylphenyl)sulfonyl-2,5-dipropylphenol
SMILESCCCc1cc(S(=O)(=O)c2cc(CCC)c(O)cc2CCC)c(CCC)cc1O
InChIInChI=1S/C24H34O4S/c1-5-9-17-15-23(19(11-7-3)13-21(17)25)29(27,28)24-16-18(10-6-2)22(26)14-20(24)12-8-4/h13-16,25-26H,5-12H2,1-4H3
InChIKeyILGKJCAEFXSZAV-UHFFFAOYSA-N
MW418.60 g/mol
LogP5.74
Rot. Bonds10

About 4-(4-hydroxy-2,5-dipropylphenyl)sulfonyl-2,5-dipropylphenol

4-(4-hydroxy-2,5-dipropylphenyl)sulfonyl-2,5-dipropylphenol (PubChem CID 19099802) has the molecular formula C24H34O4S and a molecular weight of 418.60 g/mol. Its IUPAC name is 4-(4-hydroxy-2,5-dipropylphenyl)sulfonyl-2,5-dipropylphenol.

Molecular Properties

Compound Name4-(4-hydroxy-2,5-dipropylphenyl)sulfonyl-2,5-dipropylphenol
PubChem CID19099802
Molecular FormulaC24H34O4S
Molecular Weight418.60 g/mol
Exact Mass418.22
IUPAC Name4-(4-hydroxy-2,5-dipropylphenyl)sulfonyl-2,5-dipropylphenol
SMILESCCCc1cc(S(=O)(=O)c2cc(CCC)c(O)cc2CCC)c(CCC)cc1O
InChIInChI=1S/C24H34O4S/c1-5-9-17-15-23(19(11-7-3)13-21(17)25)29(27,28)24-16-18(10-6-2)22(26)14-20(24)12-8-4/h13-16,25-26H,5-12H2,1-4H3
InChIKeyILGKJCAEFXSZAV-UHFFFAOYSA-N
XLogP5.74
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.60
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-2,5-dipropylphenyl)sulfonyl-2,5-dipropylphenol?
The IUPAC name of 4-(4-hydroxy-2,5-dipropylphenyl)sulfonyl-2,5-dipropylphenol (CID 19099802) is 4-(4-hydroxy-2,5-dipropylphenyl)sulfonyl-2,5-dipropylphenol.
What is the SMILES notation for 4-(4-hydroxy-2,5-dipropylphenyl)sulfonyl-2,5-dipropylphenol?
The canonical SMILES for 4-(4-hydroxy-2,5-dipropylphenyl)sulfonyl-2,5-dipropylphenol is CCCc1cc(S(=O)(=O)c2cc(CCC)c(O)cc2CCC)c(CCC)cc1O.
What is the InChIKey of 4-(4-hydroxy-2,5-dipropylphenyl)sulfonyl-2,5-dipropylphenol?
The InChIKey is ILGKJCAEFXSZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O4S/c1-5-9-17-15-23(19(11-7-3)13-21(17)25)29(27,28)24-16-18(10-6-2)22(26)14-20(24)12-8-4/h13-16,25-26H,5-12H2,1-4H3.
What are the key properties of 4-(4-hydroxy-2,5-dipropylphenyl)sulfonyl-2,5-dipropylphenol?
4-(4-hydroxy-2,5-dipropylphenyl)sulfonyl-2,5-dipropylphenol has a molecular weight of 418.60 g/mol, XLogP of 5.74, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-2,5-dipropylphenyl)sulfonyl-2,5-dipropylphenol is sourced from PubChem (CID 19099802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).