(2-oxo-3,4-dihydrochromen-7-yl) dihydrogen phosphate

C9H9O6P — CID 56839872

IUPAC(2-oxo-3,4-dihydrochromen-7-yl) dihydrogen phosphate
SMILESO=C1CCc2ccc(OP(=O)(O)O)cc2O1
InChIInChI=1S/C9H9O6P/c10-9-4-2-6-1-3-7(5-8(6)14-9)15-16(11,12)13/h1,3,5H,2,4H2,(H2,11,12,13)
InChIKeyFVIYCORODQPPHH-UHFFFAOYSA-N
MW244.14 g/mol
LogP1.01
Rot. Bonds2

About (2-oxo-3,4-dihydrochromen-7-yl) dihydrogen phosphate

(2-oxo-3,4-dihydrochromen-7-yl) dihydrogen phosphate (PubChem CID 56839872) has the molecular formula C9H9O6P and a molecular weight of 244.14 g/mol. Its IUPAC name is (2-oxo-3,4-dihydrochromen-7-yl) dihydrogen phosphate.

Molecular Properties

Compound Name(2-oxo-3,4-dihydrochromen-7-yl) dihydrogen phosphate
PubChem CID56839872
Molecular FormulaC9H9O6P
Molecular Weight244.14 g/mol
Exact Mass244.01
IUPAC Name(2-oxo-3,4-dihydrochromen-7-yl) dihydrogen phosphate
SMILESO=C1CCc2ccc(OP(=O)(O)O)cc2O1
InChIInChI=1S/C9H9O6P/c10-9-4-2-6-1-3-7(5-8(6)14-9)15-16(11,12)13/h1,3,5H,2,4H2,(H2,11,12,13)
InChIKeyFVIYCORODQPPHH-UHFFFAOYSA-N
XLogP1.01
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.14
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-3,4-dihydrochromen-7-yl) dihydrogen phosphate?
The IUPAC name of (2-oxo-3,4-dihydrochromen-7-yl) dihydrogen phosphate (CID 56839872) is (2-oxo-3,4-dihydrochromen-7-yl) dihydrogen phosphate.
What is the SMILES notation for (2-oxo-3,4-dihydrochromen-7-yl) dihydrogen phosphate?
The canonical SMILES for (2-oxo-3,4-dihydrochromen-7-yl) dihydrogen phosphate is O=C1CCc2ccc(OP(=O)(O)O)cc2O1.
What is the InChIKey of (2-oxo-3,4-dihydrochromen-7-yl) dihydrogen phosphate?
The InChIKey is FVIYCORODQPPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9O6P/c10-9-4-2-6-1-3-7(5-8(6)14-9)15-16(11,12)13/h1,3,5H,2,4H2,(H2,11,12,13).
What are the key properties of (2-oxo-3,4-dihydrochromen-7-yl) dihydrogen phosphate?
(2-oxo-3,4-dihydrochromen-7-yl) dihydrogen phosphate has a molecular weight of 244.14 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-3,4-dihydrochromen-7-yl) dihydrogen phosphate is sourced from PubChem (CID 56839872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).