3-hydroxy-2-phenylchromen-4-one;sulfuric acid

C15H12O7S — CID 118009267

IUPAC3-hydroxy-2-phenylchromen-4-one;sulfuric acid
SMILESO=S(=O)(O)O.O=c1c(O)c(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C15H10O3.H2O4S/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10;1-5(2,3)4/h1-9,17H;(H2,1,2,3,4)
InChIKeyXKKHPXOXXBWORN-UHFFFAOYSA-N
MW336.32 g/mol
LogP2.51
Rot. Bonds1

About 3-hydroxy-2-phenylchromen-4-one;sulfuric acid

3-hydroxy-2-phenylchromen-4-one;sulfuric acid (PubChem CID 118009267) has the molecular formula C15H12O7S and a molecular weight of 336.32 g/mol. Its IUPAC name is 3-hydroxy-2-phenylchromen-4-one;sulfuric acid.

Molecular Properties

Compound Name3-hydroxy-2-phenylchromen-4-one;sulfuric acid
PubChem CID118009267
Molecular FormulaC15H12O7S
Molecular Weight336.32 g/mol
Exact Mass336.03
IUPAC Name3-hydroxy-2-phenylchromen-4-one;sulfuric acid
SMILESO=S(=O)(O)O.O=c1c(O)c(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C15H10O3.H2O4S/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10;1-5(2,3)4/h1-9,17H;(H2,1,2,3,4)
InChIKeyXKKHPXOXXBWORN-UHFFFAOYSA-N
XLogP2.51
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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magnesium 2-(3,4-dimethylphenyl)-3-hydroxychromen-4-one
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CID 66573994
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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-phenylchromen-4-one;sulfuric acid?
The IUPAC name of 3-hydroxy-2-phenylchromen-4-one;sulfuric acid (CID 118009267) is 3-hydroxy-2-phenylchromen-4-one;sulfuric acid.
What is the SMILES notation for 3-hydroxy-2-phenylchromen-4-one;sulfuric acid?
The canonical SMILES for 3-hydroxy-2-phenylchromen-4-one;sulfuric acid is O=S(=O)(O)O.O=c1c(O)c(-c2ccccc2)oc2ccccc12.
What is the InChIKey of 3-hydroxy-2-phenylchromen-4-one;sulfuric acid?
The InChIKey is XKKHPXOXXBWORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O3.H2O4S/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10;1-5(2,3)4/h1-9,17H;(H2,1,2,3,4).
What are the key properties of 3-hydroxy-2-phenylchromen-4-one;sulfuric acid?
3-hydroxy-2-phenylchromen-4-one;sulfuric acid has a molecular weight of 336.32 g/mol, XLogP of 2.51, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-phenylchromen-4-one;sulfuric acid is sourced from PubChem (CID 118009267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).