7-hydroxychromen-2-one;methyl dihydrogen phosphate

C10H11O7P — CID 87123175

IUPAC7-hydroxychromen-2-one;methyl dihydrogen phosphate
SMILESCOP(=O)(O)O.O=c1ccc2ccc(O)cc2o1
InChIInChI=1S/C9H6O3.CH5O4P/c10-7-3-1-6-2-4-9(11)12-8(6)5-7;1-5-6(2,3)4/h1-5,10H;1H3,(H2,2,3,4)
InChIKeySKWUILWLYCYYSX-UHFFFAOYSA-N
MW274.17 g/mol
LogP1.22
Rot. Bonds1

About 7-hydroxychromen-2-one;methyl dihydrogen phosphate

7-hydroxychromen-2-one;methyl dihydrogen phosphate (PubChem CID 87123175) has the molecular formula C10H11O7P and a molecular weight of 274.17 g/mol. Its IUPAC name is 7-hydroxychromen-2-one;methyl dihydrogen phosphate.

Molecular Properties

Compound Name7-hydroxychromen-2-one;methyl dihydrogen phosphate
PubChem CID87123175
Molecular FormulaC10H11O7P
Molecular Weight274.17 g/mol
Exact Mass274.02
IUPAC Name7-hydroxychromen-2-one;methyl dihydrogen phosphate
SMILESCOP(=O)(O)O.O=c1ccc2ccc(O)cc2o1
InChIInChI=1S/C9H6O3.CH5O4P/c10-7-3-1-6-2-4-9(11)12-8(6)5-7;1-5-6(2,3)4/h1-5,10H;1H3,(H2,2,3,4)
InChIKeySKWUILWLYCYYSX-UHFFFAOYSA-N
XLogP1.22
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.17
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-hydroxychromen-2-one;phosphoric acid
CID 87360141
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7-hydroxy-3-(2-oxochromen-7-yl)oxychromen-2-one
CID 10925304
6,7-dimethoxychromen-2-one
CID 159563577
6,7-dihydroxychromen-2-one
CID 5281416
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CID 141275352
6,7-dihydroxychromen-2-one;phosphane
CID 175526881
sodium;6,7-dimethoxychromen-2-one;chloride
CID 174522152
7-[(4-methoxyphenyl)methoxy]chromen-2-one
CID 2906140
7-aminochromen-2-one;ethane
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CID 177070769

Frequently Asked Questions

What is the IUPAC name of 7-hydroxychromen-2-one;methyl dihydrogen phosphate?
The IUPAC name of 7-hydroxychromen-2-one;methyl dihydrogen phosphate (CID 87123175) is 7-hydroxychromen-2-one;methyl dihydrogen phosphate.
What is the SMILES notation for 7-hydroxychromen-2-one;methyl dihydrogen phosphate?
The canonical SMILES for 7-hydroxychromen-2-one;methyl dihydrogen phosphate is COP(=O)(O)O.O=c1ccc2ccc(O)cc2o1.
What is the InChIKey of 7-hydroxychromen-2-one;methyl dihydrogen phosphate?
The InChIKey is SKWUILWLYCYYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O3.CH5O4P/c10-7-3-1-6-2-4-9(11)12-8(6)5-7;1-5-6(2,3)4/h1-5,10H;1H3,(H2,2,3,4).
What are the key properties of 7-hydroxychromen-2-one;methyl dihydrogen phosphate?
7-hydroxychromen-2-one;methyl dihydrogen phosphate has a molecular weight of 274.17 g/mol, XLogP of 1.22, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxychromen-2-one;methyl dihydrogen phosphate is sourced from PubChem (CID 87123175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).