acetic acid;4-(4-hydroxyphenyl)sulfonylphenol

C16H18O8S — CID 71431961

IUPACacetic acid;4-(4-hydroxyphenyl)sulfonylphenol
SMILESCC(=O)O.CC(=O)O.O=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C12H10O4S.2C2H4O2/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;2*1-2(3)4/h1-8,13-14H;2*1H3,(H,3,4)
InChIKeyGAFOVRFSCBATJO-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.11
Rot. Bonds2

About acetic acid;4-(4-hydroxyphenyl)sulfonylphenol

acetic acid;4-(4-hydroxyphenyl)sulfonylphenol (PubChem CID 71431961) has the molecular formula C16H18O8S and a molecular weight of 370.38 g/mol. Its IUPAC name is acetic acid;4-(4-hydroxyphenyl)sulfonylphenol.

Molecular Properties

Compound Nameacetic acid;4-(4-hydroxyphenyl)sulfonylphenol
PubChem CID71431961
Molecular FormulaC16H18O8S
Molecular Weight370.38 g/mol
Exact Mass370.07
IUPAC Nameacetic acid;4-(4-hydroxyphenyl)sulfonylphenol
SMILESCC(=O)O.CC(=O)O.O=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C12H10O4S.2C2H4O2/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;2*1-2(3)4/h1-8,13-14H;2*1H3,(H,3,4)
InChIKeyGAFOVRFSCBATJO-UHFFFAOYSA-N
XLogP2.11
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of acetic acid;4-(4-hydroxyphenyl)sulfonylphenol?
The IUPAC name of acetic acid;4-(4-hydroxyphenyl)sulfonylphenol (CID 71431961) is acetic acid;4-(4-hydroxyphenyl)sulfonylphenol.
What is the SMILES notation for acetic acid;4-(4-hydroxyphenyl)sulfonylphenol?
The canonical SMILES for acetic acid;4-(4-hydroxyphenyl)sulfonylphenol is CC(=O)O.CC(=O)O.O=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of acetic acid;4-(4-hydroxyphenyl)sulfonylphenol?
The InChIKey is GAFOVRFSCBATJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4S.2C2H4O2/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;2*1-2(3)4/h1-8,13-14H;2*1H3,(H,3,4).
What are the key properties of acetic acid;4-(4-hydroxyphenyl)sulfonylphenol?
acetic acid;4-(4-hydroxyphenyl)sulfonylphenol has a molecular weight of 370.38 g/mol, XLogP of 2.11, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4-(4-hydroxyphenyl)sulfonylphenol is sourced from PubChem (CID 71431961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).