[4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenyl] hydrogen sulfate

C12H10O9S — CID 15126366

IUPAC[4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenyl] hydrogen sulfate
SMILESO=S(=O)(O)Oc1cc(O)c(Oc2cc(O)cc(O)c2)c(O)c1
InChIInChI=1S/C12H10O9S/c13-6-1-7(14)3-8(2-6)20-12-10(15)4-9(5-11(12)16)21-22(17,18)19/h1-5,13-16H,(H,17,18,19)
InChIKeyMXUYHVDBRGUZBB-UHFFFAOYSA-N
MW330.27 g/mol
LogP1.48
Rot. Bonds4

About [4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenyl] hydrogen sulfate

[4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenyl] hydrogen sulfate (PubChem CID 15126366) has the molecular formula C12H10O9S and a molecular weight of 330.27 g/mol. Its IUPAC name is [4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenyl] hydrogen sulfate.

Molecular Properties

Compound Name[4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenyl] hydrogen sulfate
PubChem CID15126366
Molecular FormulaC12H10O9S
Molecular Weight330.27 g/mol
Exact Mass330.00
IUPAC Name[4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenyl] hydrogen sulfate
SMILESO=S(=O)(O)Oc1cc(O)c(Oc2cc(O)cc(O)c2)c(O)c1
InChIInChI=1S/C12H10O9S/c13-6-1-7(14)3-8(2-6)20-12-10(15)4-9(5-11(12)16)21-22(17,18)19/h1-5,13-16H,(H,17,18,19)
InChIKeyMXUYHVDBRGUZBB-UHFFFAOYSA-N
XLogP1.48
TPSA153.75 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 51.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze [4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenyl] hydrogen sulfate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-hydroxy-5-sulfooxyphenyl) hydrogen sulfate
CID 15126362
2-[4-[4-[4-[4-[4-[4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]-2,6-dihydroxyphenoxy]benzene-1,3,5-triol
CID 71655821
(3,5-dihydroxyphenyl) sulfate
CID 171119883
5-[3,5-bis(3,5-dihydroxyphenoxy)phenoxy]benzene-1,3-diol
CID 139830586
[3-hydroxy-5-(13-methyltetradecyl)phenyl] hydrogen sulfate
CID 26176699
2-(4-hydroxyphenoxy)benzene-1,3,5-triol
CID 14020522
3,5,7-trihydroxynaphthalene-1-sulfonic acid
CID 141399628
methyl 2-hydroxy-4-sulfooxybenzoate
CID 102439908
5-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)phenoxy]-4-[4-[2-[4-[2-[4-[2-[3,5-dihydroxy-4-(3,4,5-trihydroxyphenoxy)phenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyphenoxy]-3,5-dihydroxyphenoxy]benzene-1,2,3-triol
CID 162973517
(2,5-dihydroxyphenyl) hydrogen sulfate
CID 172879978
phosphane;5-sulfooxybenzene-1,3-dicarboxylic acid
CID 173149538
4-(3,5-dihydroxyphenoxy)-9-[7-(2,6-dihydroxyphenoxy)-6-(3,5-dihydroxyphenoxy)-2,4,9-trihydroxydibenzo-p-dioxin-1-yl]dibenzo-p-dioxin-1,3,6,8-tetrol
CID 144963641

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenyl] hydrogen sulfate?
The IUPAC name of [4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenyl] hydrogen sulfate (CID 15126366) is [4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenyl] hydrogen sulfate.
What is the SMILES notation for [4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenyl] hydrogen sulfate?
The canonical SMILES for [4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenyl] hydrogen sulfate is O=S(=O)(O)Oc1cc(O)c(Oc2cc(O)cc(O)c2)c(O)c1.
What is the InChIKey of [4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenyl] hydrogen sulfate?
The InChIKey is MXUYHVDBRGUZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O9S/c13-6-1-7(14)3-8(2-6)20-12-10(15)4-9(5-11(12)16)21-22(17,18)19/h1-5,13-16H,(H,17,18,19).
What are the key properties of [4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenyl] hydrogen sulfate?
[4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenyl] hydrogen sulfate has a molecular weight of 330.27 g/mol, XLogP of 1.48, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenyl] hydrogen sulfate is sourced from PubChem (CID 15126366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).