dihydroxy(oxo)phosphanium;3-methylchromen-2-one

C10H10O5P+ — CID 175149371

IUPACdihydroxy(oxo)phosphanium;3-methylchromen-2-one
SMILESCc1cc2ccccc2oc1=O.O=[P+](O)O
InChIInChI=1S/C10H8O2.HO3P/c1-7-6-8-4-2-3-5-9(8)12-10(7)11;1-4(2)3/h2-6H,1H3;(H-,1,2,3)/p+1
InChIKeyKNJXIZPMERGYAC-UHFFFAOYSA-O
MW241.16 g/mol
LogP1.73
Rot. Bonds

About dihydroxy(oxo)phosphanium;3-methylchromen-2-one

dihydroxy(oxo)phosphanium;3-methylchromen-2-one (PubChem CID 175149371) has the molecular formula C10H10O5P+ and a molecular weight of 241.16 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;3-methylchromen-2-one.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;3-methylchromen-2-one
PubChem CID175149371
Molecular FormulaC10H10O5P+
Molecular Weight241.16 g/mol
Exact Mass241.03
IUPAC Namedihydroxy(oxo)phosphanium;3-methylchromen-2-one
SMILESCc1cc2ccccc2oc1=O.O=[P+](O)O
InChIInChI=1S/C10H8O2.HO3P/c1-7-6-8-4-2-3-5-9(8)12-10(7)11;1-4(2)3/h2-6H,1H3;(H-,1,2,3)/p+1
InChIKeyKNJXIZPMERGYAC-UHFFFAOYSA-O
XLogP1.73
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-trimethylsilylchromen-2-one
CID 71378789
6-bromo-3-methylchromen-2-one
CID 14956088
2-oxochromene-3-carboxylic acid
CID 161011590
3-(hydroxymethyl)chromen-2-one
CID 22921481
2-[1-(2-oxochromen-3-yl)ethylidene]propanedinitrile
CID 4737661
3-[(2-hydroxy-5-methylphenyl)methyl]chromen-2-one
CID 10355547
N-tert-butyl-2-oxochromene-3-carboxamide
CID 2798381
methyl N-(2-oxochromene-3-carbonyl)carbamate
CID 901757
(2-methylphenyl) 2-(2-oxochromene-3-carbonyl)prop-2-enoate
CID 166955493
3-(2-hydroxyphenyl)chromen-2-one
CID 819892
carbonic acid;(2-oxochromen-3-yl) acetate
CID 87637684
acetic acid;3-(hydroxymethyl)chromen-2-one
CID 174966490

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;3-methylchromen-2-one?
The IUPAC name of dihydroxy(oxo)phosphanium;3-methylchromen-2-one (CID 175149371) is dihydroxy(oxo)phosphanium;3-methylchromen-2-one.
What is the SMILES notation for dihydroxy(oxo)phosphanium;3-methylchromen-2-one?
The canonical SMILES for dihydroxy(oxo)phosphanium;3-methylchromen-2-one is Cc1cc2ccccc2oc1=O.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;3-methylchromen-2-one?
The InChIKey is KNJXIZPMERGYAC-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H8O2.HO3P/c1-7-6-8-4-2-3-5-9(8)12-10(7)11;1-4(2)3/h2-6H,1H3;(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;3-methylchromen-2-one?
dihydroxy(oxo)phosphanium;3-methylchromen-2-one has a molecular weight of 241.16 g/mol, XLogP of 1.73, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;3-methylchromen-2-one is sourced from PubChem (CID 175149371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).