(6,8-difluoro-4-methyl-2-oxochromen-7-yl) dihydrogen phosphate

C10H7F2O6P — CID 2786976

IUPAC(6,8-difluoro-4-methyl-2-oxochromen-7-yl) dihydrogen phosphate
SMILESCc1cc(=O)oc2c(F)c(OP(=O)(O)O)c(F)cc12
InChIInChI=1S/C10H7F2O6P/c1-4-2-7(13)17-9-5(4)3-6(11)10(8(9)12)18-19(14,15)16/h2-3H,1H3,(H2,14,15,16)
InChIKeyDZANYXOTJVLAEE-UHFFFAOYSA-N
MW292.13 g/mol
LogP1.85
Rot. Bonds2

About (6,8-difluoro-4-methyl-2-oxochromen-7-yl) dihydrogen phosphate

(6,8-difluoro-4-methyl-2-oxochromen-7-yl) dihydrogen phosphate (PubChem CID 2786976) has the molecular formula C10H7F2O6P and a molecular weight of 292.13 g/mol. Its IUPAC name is (6,8-difluoro-4-methyl-2-oxochromen-7-yl) dihydrogen phosphate.

Molecular Properties

Compound Name(6,8-difluoro-4-methyl-2-oxochromen-7-yl) dihydrogen phosphate
PubChem CID2786976
Molecular FormulaC10H7F2O6P
Molecular Weight292.13 g/mol
Exact Mass291.99
IUPAC Name(6,8-difluoro-4-methyl-2-oxochromen-7-yl) dihydrogen phosphate
SMILESCc1cc(=O)oc2c(F)c(OP(=O)(O)O)c(F)cc12
InChIInChI=1S/C10H7F2O6P/c1-4-2-7(13)17-9-5(4)3-6(11)10(8(9)12)18-19(14,15)16/h2-3H,1H3,(H2,14,15,16)
InChIKeyDZANYXOTJVLAEE-UHFFFAOYSA-N
XLogP1.85
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.13
LogP ≤ 51.85
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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Frequently Asked Questions

What is the IUPAC name of (6,8-difluoro-4-methyl-2-oxochromen-7-yl) dihydrogen phosphate?
The IUPAC name of (6,8-difluoro-4-methyl-2-oxochromen-7-yl) dihydrogen phosphate (CID 2786976) is (6,8-difluoro-4-methyl-2-oxochromen-7-yl) dihydrogen phosphate.
What is the SMILES notation for (6,8-difluoro-4-methyl-2-oxochromen-7-yl) dihydrogen phosphate?
The canonical SMILES for (6,8-difluoro-4-methyl-2-oxochromen-7-yl) dihydrogen phosphate is Cc1cc(=O)oc2c(F)c(OP(=O)(O)O)c(F)cc12.
What is the InChIKey of (6,8-difluoro-4-methyl-2-oxochromen-7-yl) dihydrogen phosphate?
The InChIKey is DZANYXOTJVLAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2O6P/c1-4-2-7(13)17-9-5(4)3-6(11)10(8(9)12)18-19(14,15)16/h2-3H,1H3,(H2,14,15,16).
What are the key properties of (6,8-difluoro-4-methyl-2-oxochromen-7-yl) dihydrogen phosphate?
(6,8-difluoro-4-methyl-2-oxochromen-7-yl) dihydrogen phosphate has a molecular weight of 292.13 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6,8-difluoro-4-methyl-2-oxochromen-7-yl) dihydrogen phosphate is sourced from PubChem (CID 2786976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).