bis(dihydroxy(oxo)phosphanium);7,8-dihydroxy-2-phenylchromen-4-one

C15H14O10P2+2 — CID 175725603

IUPACbis(dihydroxy(oxo)phosphanium);7,8-dihydroxy-2-phenylchromen-4-one
SMILESO=[P+](O)O.O=[P+](O)O.O=c1cc(-c2ccccc2)oc2c(O)c(O)ccc12
InChIInChI=1S/C15H10O4.2HO3P/c16-11-7-6-10-12(17)8-13(19-15(10)14(11)18)9-4-2-1-3-5-9;2*1-4(2)3/h1-8,16,18H;2*(H-,1,2,3)/p+2
InChIKeyMOMYNVWPJQHCCG-UHFFFAOYSA-P
MW416.22 g/mol
LogP2.13
Rot. Bonds1

About bis(dihydroxy(oxo)phosphanium);7,8-dihydroxy-2-phenylchromen-4-one

bis(dihydroxy(oxo)phosphanium);7,8-dihydroxy-2-phenylchromen-4-one (PubChem CID 175725603) has the molecular formula C15H14O10P2+2 and a molecular weight of 416.22 g/mol. Its IUPAC name is bis(dihydroxy(oxo)phosphanium);7,8-dihydroxy-2-phenylchromen-4-one.

Molecular Properties

Compound Namebis(dihydroxy(oxo)phosphanium);7,8-dihydroxy-2-phenylchromen-4-one
PubChem CID175725603
Molecular FormulaC15H14O10P2+2
Molecular Weight416.22 g/mol
Exact Mass416.01
IUPAC Namebis(dihydroxy(oxo)phosphanium);7,8-dihydroxy-2-phenylchromen-4-one
SMILESO=[P+](O)O.O=[P+](O)O.O=c1cc(-c2ccccc2)oc2c(O)c(O)ccc12
InChIInChI=1S/C15H10O4.2HO3P/c16-11-7-6-10-12(17)8-13(19-15(10)14(11)18)9-4-2-1-3-5-9;2*1-4(2)3/h1-8,16,18H;2*(H-,1,2,3)/p+2
InChIKeyMOMYNVWPJQHCCG-UHFFFAOYSA-P
XLogP2.13
TPSA185.73 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.22
LogP ≤ 52.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

7,8-dihydroxy-2-phenylchromen-4-one
CID 1880
2-[3-(dimethylamino)phenyl]-7,8-dihydroxychromen-4-one
CID 67609078
(7-hydroxy-4-oxo-2-phenylchromen-8-yl) N-methylcarbamate
CID 146347086
2-(2H-benzotriazol-5-yl)-7,8-dihydroxychromen-4-one
CID 135506549
6,8-diamino-7-hydroxy-2-phenylchromen-4-one
CID 45116967
7-hydroxy-2-phenylchromen-4-one
CID 5281894
8-(hydroxymethyl)-2-phenylchromen-4-one
CID 141073629
8-phenylfuro[3,2-h]chromen-6-one
CID 162925153
(7-hydroxy-4-oxo-2-phenylchromen-8-yl) pyridine-4-carboxylate
CID 146347181
2-[4-(dimethylamino)-3-fluorophenyl]-7,8-dihydroxychromen-4-one
CID 54760248
2-phenylthieno[2,3-h]chromen-4-one
CID 5274461
sodium 2-(4-oxo-2-phenylchromen-8-yl)acetate
CID 23682652

Frequently Asked Questions

What is the IUPAC name of bis(dihydroxy(oxo)phosphanium);7,8-dihydroxy-2-phenylchromen-4-one?
The IUPAC name of bis(dihydroxy(oxo)phosphanium);7,8-dihydroxy-2-phenylchromen-4-one (CID 175725603) is bis(dihydroxy(oxo)phosphanium);7,8-dihydroxy-2-phenylchromen-4-one.
What is the SMILES notation for bis(dihydroxy(oxo)phosphanium);7,8-dihydroxy-2-phenylchromen-4-one?
The canonical SMILES for bis(dihydroxy(oxo)phosphanium);7,8-dihydroxy-2-phenylchromen-4-one is O=[P+](O)O.O=[P+](O)O.O=c1cc(-c2ccccc2)oc2c(O)c(O)ccc12.
What is the InChIKey of bis(dihydroxy(oxo)phosphanium);7,8-dihydroxy-2-phenylchromen-4-one?
The InChIKey is MOMYNVWPJQHCCG-UHFFFAOYSA-P. The full InChI is InChI=1S/C15H10O4.2HO3P/c16-11-7-6-10-12(17)8-13(19-15(10)14(11)18)9-4-2-1-3-5-9;2*1-4(2)3/h1-8,16,18H;2*(H-,1,2,3)/p+2.
What are the key properties of bis(dihydroxy(oxo)phosphanium);7,8-dihydroxy-2-phenylchromen-4-one?
bis(dihydroxy(oxo)phosphanium);7,8-dihydroxy-2-phenylchromen-4-one has a molecular weight of 416.22 g/mol, XLogP of 2.13, 1 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dihydroxy(oxo)phosphanium);7,8-dihydroxy-2-phenylchromen-4-one is sourced from PubChem (CID 175725603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).