7-dimethoxyphosphoryl-5-hydroxy-2-phenylchromen-4-one

C17H15O6P — CID 22280813

IUPAC7-dimethoxyphosphoryl-5-hydroxy-2-phenylchromen-4-one
SMILESCOP(=O)(OC)c1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1
InChIInChI=1S/C17H15O6P/c1-21-24(20,22-2)12-8-13(18)17-14(19)10-15(23-16(17)9-12)11-6-4-3-5-7-11/h3-10,18H,1-2H3
InChIKeyZNYBOCOBBUXFEB-UHFFFAOYSA-N
MW346.28 g/mol
LogP3.28
Rot. Bonds4

About 7-dimethoxyphosphoryl-5-hydroxy-2-phenylchromen-4-one

7-dimethoxyphosphoryl-5-hydroxy-2-phenylchromen-4-one (PubChem CID 22280813) has the molecular formula C17H15O6P and a molecular weight of 346.28 g/mol. Its IUPAC name is 7-dimethoxyphosphoryl-5-hydroxy-2-phenylchromen-4-one.

Molecular Properties

Compound Name7-dimethoxyphosphoryl-5-hydroxy-2-phenylchromen-4-one
PubChem CID22280813
Molecular FormulaC17H15O6P
Molecular Weight346.28 g/mol
Exact Mass346.06
IUPAC Name7-dimethoxyphosphoryl-5-hydroxy-2-phenylchromen-4-one
SMILESCOP(=O)(OC)c1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1
InChIInChI=1S/C17H15O6P/c1-21-24(20,22-2)12-8-13(18)17-14(19)10-15(23-16(17)9-12)11-6-4-3-5-7-11/h3-10,18H,1-2H3
InChIKeyZNYBOCOBBUXFEB-UHFFFAOYSA-N
XLogP3.28
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.28
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-7-methoxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 161118058
CID 172853606
CID 172853606
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 5281617
methyl (2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate
CID 5397954
7-anilino-5-hydroxy-2-phenylchromen-4-one
CID 164946024
bis(5,7-dihydroxy-2-phenylchromen-4-one);sulfuric acid
CID 174670813
5-hydroxy-7-(2-hydroxyethoxy)-2-phenylchromen-4-one
CID 15896568
5,7-dihydroxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 68816707
5-hydroxy-2-(2-hydroxyphenyl)-7-methoxychromen-4-one
CID 15559079
5,7-dihydroxy-6-methyl-2-phenylchromen-4-one
CID 11536318
5,7-dihydroxy-2-phenylchromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 69450862
7-(4-bromo-2,4-dimethylpentan-2-yl)oxy-5-hydroxy-2-phenylchromen-4-one
CID 91144753

Frequently Asked Questions

What is the IUPAC name of 7-dimethoxyphosphoryl-5-hydroxy-2-phenylchromen-4-one?
The IUPAC name of 7-dimethoxyphosphoryl-5-hydroxy-2-phenylchromen-4-one (CID 22280813) is 7-dimethoxyphosphoryl-5-hydroxy-2-phenylchromen-4-one.
What is the SMILES notation for 7-dimethoxyphosphoryl-5-hydroxy-2-phenylchromen-4-one?
The canonical SMILES for 7-dimethoxyphosphoryl-5-hydroxy-2-phenylchromen-4-one is COP(=O)(OC)c1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1.
What is the InChIKey of 7-dimethoxyphosphoryl-5-hydroxy-2-phenylchromen-4-one?
The InChIKey is ZNYBOCOBBUXFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15O6P/c1-21-24(20,22-2)12-8-13(18)17-14(19)10-15(23-16(17)9-12)11-6-4-3-5-7-11/h3-10,18H,1-2H3.
What are the key properties of 7-dimethoxyphosphoryl-5-hydroxy-2-phenylchromen-4-one?
7-dimethoxyphosphoryl-5-hydroxy-2-phenylchromen-4-one has a molecular weight of 346.28 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-dimethoxyphosphoryl-5-hydroxy-2-phenylchromen-4-one is sourced from PubChem (CID 22280813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).