(4,8-dimethyl-2-oxochromen-7-yl) dihydrogen phosphate

C11H11O6P — CID 56839646

IUPAC(4,8-dimethyl-2-oxochromen-7-yl) dihydrogen phosphate
SMILESCc1cc(=O)oc2c(C)c(OP(=O)(O)O)ccc12
InChIInChI=1S/C11H11O6P/c1-6-5-10(12)16-11-7(2)9(4-3-8(6)11)17-18(13,14)15/h3-5H,1-2H3,(H2,13,14,15)
InChIKeyNPGYIJZABGBAKR-UHFFFAOYSA-N
MW270.18 g/mol
LogP1.88
Rot. Bonds2

About (4,8-dimethyl-2-oxochromen-7-yl) dihydrogen phosphate

(4,8-dimethyl-2-oxochromen-7-yl) dihydrogen phosphate (PubChem CID 56839646) has the molecular formula C11H11O6P and a molecular weight of 270.18 g/mol. Its IUPAC name is (4,8-dimethyl-2-oxochromen-7-yl) dihydrogen phosphate.

Molecular Properties

Compound Name(4,8-dimethyl-2-oxochromen-7-yl) dihydrogen phosphate
PubChem CID56839646
Molecular FormulaC11H11O6P
Molecular Weight270.18 g/mol
Exact Mass270.03
IUPAC Name(4,8-dimethyl-2-oxochromen-7-yl) dihydrogen phosphate
SMILESCc1cc(=O)oc2c(C)c(OP(=O)(O)O)ccc12
InChIInChI=1S/C11H11O6P/c1-6-5-10(12)16-11-7(2)9(4-3-8(6)11)17-18(13,14)15/h3-5H,1-2H3,(H2,13,14,15)
InChIKeyNPGYIJZABGBAKR-UHFFFAOYSA-N
XLogP1.88
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.18
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-methyl-2-oxo-7-phosphonooxychromen-8-yl) dihydrogen phosphate
CID 56839869
4,8-dimethyl-7-(3-oxobutan-2-yloxy)chromen-2-one
CID 4914824
(6,8-difluoro-4-methyl-2-oxochromen-7-yl) dihydrogen phosphate
CID 2786976
(4,8-dimethyl-2-oxochromen-7-yl) 4-nitrobenzoate
CID 7917022
4-hydroxy-7-methoxy-8-methylchromen-2-one
CID 54728807
N-[3-(dimethylamino)propyl]-2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetamide
CID 4903604
4,8-dimethyl-7-[(1R)-2-oxocyclohexyl]oxychromen-2-one
CID 907360
7-[(2-ethoxyphenyl)methoxy]-4,8-dimethylchromen-2-one
CID 8563743
4,8-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]chromen-2-one
CID 18166340
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(1-phenylethyl)acetamide
CID 18202496
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(2-methylpropylcarbamoyl)acetamide
CID 8563687
7-acetyloxy-4-methyl-2-oxochromene-8-carboxylic acid
CID 16638200

Frequently Asked Questions

What is the IUPAC name of (4,8-dimethyl-2-oxochromen-7-yl) dihydrogen phosphate?
The IUPAC name of (4,8-dimethyl-2-oxochromen-7-yl) dihydrogen phosphate (CID 56839646) is (4,8-dimethyl-2-oxochromen-7-yl) dihydrogen phosphate.
What is the SMILES notation for (4,8-dimethyl-2-oxochromen-7-yl) dihydrogen phosphate?
The canonical SMILES for (4,8-dimethyl-2-oxochromen-7-yl) dihydrogen phosphate is Cc1cc(=O)oc2c(C)c(OP(=O)(O)O)ccc12.
What is the InChIKey of (4,8-dimethyl-2-oxochromen-7-yl) dihydrogen phosphate?
The InChIKey is NPGYIJZABGBAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11O6P/c1-6-5-10(12)16-11-7(2)9(4-3-8(6)11)17-18(13,14)15/h3-5H,1-2H3,(H2,13,14,15).
What are the key properties of (4,8-dimethyl-2-oxochromen-7-yl) dihydrogen phosphate?
(4,8-dimethyl-2-oxochromen-7-yl) dihydrogen phosphate has a molecular weight of 270.18 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,8-dimethyl-2-oxochromen-7-yl) dihydrogen phosphate is sourced from PubChem (CID 56839646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).