4-(3-chloro-4-hydroxyphenyl)sulfonyl-2-propan-2-ylphenol

C15H15ClO4S — CID 22257539

IUPAC4-(3-chloro-4-hydroxyphenyl)sulfonyl-2-propan-2-ylphenol
SMILESCC(C)c1cc(S(=O)(=O)c2ccc(O)c(Cl)c2)ccc1O
InChIInChI=1S/C15H15ClO4S/c1-9(2)12-7-10(3-5-14(12)17)21(19,20)11-4-6-15(18)13(16)8-11/h3-9,17-18H,1-2H3
InChIKeyRKFKQLKUMGAHAT-UHFFFAOYSA-N
MW326.80 g/mol
LogP3.71
Rot. Bonds3

About 4-(3-chloro-4-hydroxyphenyl)sulfonyl-2-propan-2-ylphenol

4-(3-chloro-4-hydroxyphenyl)sulfonyl-2-propan-2-ylphenol (PubChem CID 22257539) has the molecular formula C15H15ClO4S and a molecular weight of 326.80 g/mol. Its IUPAC name is 4-(3-chloro-4-hydroxyphenyl)sulfonyl-2-propan-2-ylphenol.

Molecular Properties

Compound Name4-(3-chloro-4-hydroxyphenyl)sulfonyl-2-propan-2-ylphenol
PubChem CID22257539
Molecular FormulaC15H15ClO4S
Molecular Weight326.80 g/mol
Exact Mass326.04
IUPAC Name4-(3-chloro-4-hydroxyphenyl)sulfonyl-2-propan-2-ylphenol
SMILESCC(C)c1cc(S(=O)(=O)c2ccc(O)c(Cl)c2)ccc1O
InChIInChI=1S/C15H15ClO4S/c1-9(2)12-7-10(3-5-14(12)17)21(19,20)11-4-6-15(18)13(16)8-11/h3-9,17-18H,1-2H3
InChIKeyRKFKQLKUMGAHAT-UHFFFAOYSA-N
XLogP3.71
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.80
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-hydroxyphenyl)sulfonyl-2-propan-2-ylphenol?
The IUPAC name of 4-(3-chloro-4-hydroxyphenyl)sulfonyl-2-propan-2-ylphenol (CID 22257539) is 4-(3-chloro-4-hydroxyphenyl)sulfonyl-2-propan-2-ylphenol.
What is the SMILES notation for 4-(3-chloro-4-hydroxyphenyl)sulfonyl-2-propan-2-ylphenol?
The canonical SMILES for 4-(3-chloro-4-hydroxyphenyl)sulfonyl-2-propan-2-ylphenol is CC(C)c1cc(S(=O)(=O)c2ccc(O)c(Cl)c2)ccc1O.
What is the InChIKey of 4-(3-chloro-4-hydroxyphenyl)sulfonyl-2-propan-2-ylphenol?
The InChIKey is RKFKQLKUMGAHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO4S/c1-9(2)12-7-10(3-5-14(12)17)21(19,20)11-4-6-15(18)13(16)8-11/h3-9,17-18H,1-2H3.
What are the key properties of 4-(3-chloro-4-hydroxyphenyl)sulfonyl-2-propan-2-ylphenol?
4-(3-chloro-4-hydroxyphenyl)sulfonyl-2-propan-2-ylphenol has a molecular weight of 326.80 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-hydroxyphenyl)sulfonyl-2-propan-2-ylphenol is sourced from PubChem (CID 22257539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).