4-(2,4-diethylphenyl)sulfonylphenol

C16H18O3S — CID 71331194

IUPAC4-(2,4-diethylphenyl)sulfonylphenol
SMILESCCc1ccc(S(=O)(=O)c2ccc(O)cc2)c(CC)c1
InChIInChI=1S/C16H18O3S/c1-3-12-5-10-16(13(4-2)11-12)20(18,19)15-8-6-14(17)7-9-15/h5-11,17H,3-4H2,1-2H3
InChIKeySWIWQDGRHPNSCJ-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.35
Rot. Bonds4

About 4-(2,4-diethylphenyl)sulfonylphenol

4-(2,4-diethylphenyl)sulfonylphenol (PubChem CID 71331194) has the molecular formula C16H18O3S and a molecular weight of 290.38 g/mol. Its IUPAC name is 4-(2,4-diethylphenyl)sulfonylphenol.

Molecular Properties

Compound Name4-(2,4-diethylphenyl)sulfonylphenol
PubChem CID71331194
Molecular FormulaC16H18O3S
Molecular Weight290.38 g/mol
Exact Mass290.10
IUPAC Name4-(2,4-diethylphenyl)sulfonylphenol
SMILESCCc1ccc(S(=O)(=O)c2ccc(O)cc2)c(CC)c1
InChIInChI=1S/C16H18O3S/c1-3-12-5-10-16(13(4-2)11-12)20(18,19)15-8-6-14(17)7-9-15/h5-11,17H,3-4H2,1-2H3
InChIKeySWIWQDGRHPNSCJ-UHFFFAOYSA-N
XLogP3.35
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-bis[(4-ethylphenyl)sulfonyl]-5-methylphenol
CID 139696741
CID 70636806
CID 70636806
3-(4-ethylphenyl)sulfonyl-6-hydroxy-1H-quinolin-4-one
CID 167344437
4-(2,4-diethylphenyl)sulfanylphenol
CID 91879872
2-ethylbenzene-1,4-disulfonic acid
CID 57045221
ethane;4-ethylphenol;formaldehyde
CID 131698499
1,3,5-triethyl-2-(2,4,6-triethylphenyl)sulfonylbenzene
CID 56983277
1-(benzenesulfonyl)-4-ethylbenzene
CID 578693
sodium;4-ethylphenol;hydroxide
CID 160913882
magnesium;4-ethylphenol;hydride
CID 174425334
4-ethyl-2-methylbenzenesulfonic acid
CID 87265774
acetic acid;4-(4-hydroxyphenyl)sulfonylphenol
CID 71431961

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-diethylphenyl)sulfonylphenol?
The IUPAC name of 4-(2,4-diethylphenyl)sulfonylphenol (CID 71331194) is 4-(2,4-diethylphenyl)sulfonylphenol.
What is the SMILES notation for 4-(2,4-diethylphenyl)sulfonylphenol?
The canonical SMILES for 4-(2,4-diethylphenyl)sulfonylphenol is CCc1ccc(S(=O)(=O)c2ccc(O)cc2)c(CC)c1.
What is the InChIKey of 4-(2,4-diethylphenyl)sulfonylphenol?
The InChIKey is SWIWQDGRHPNSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3S/c1-3-12-5-10-16(13(4-2)11-12)20(18,19)15-8-6-14(17)7-9-15/h5-11,17H,3-4H2,1-2H3.
What are the key properties of 4-(2,4-diethylphenyl)sulfonylphenol?
4-(2,4-diethylphenyl)sulfonylphenol has a molecular weight of 290.38 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-diethylphenyl)sulfonylphenol is sourced from PubChem (CID 71331194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).