phenalen-1-one;phosphoric acid

C13H11O5P — CID 70389787

IUPACphenalen-1-one;phosphoric acid
SMILESO=C1C=Cc2cccc3cccc1c23.O=P(O)(O)O
InChIInChI=1S/C13H8O.H3O4P/c14-12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10;1-5(2,3)4/h1-8H;(H3,1,2,3,4)
InChIKeyRTULUZWCCCJSBF-UHFFFAOYSA-N
MW278.20 g/mol
LogP2.12
Rot. Bonds

About phenalen-1-one;phosphoric acid

phenalen-1-one;phosphoric acid (PubChem CID 70389787) has the molecular formula C13H11O5P and a molecular weight of 278.20 g/mol. Its IUPAC name is phenalen-1-one;phosphoric acid.

Molecular Properties

Compound Namephenalen-1-one;phosphoric acid
PubChem CID70389787
Molecular FormulaC13H11O5P
Molecular Weight278.20 g/mol
Exact Mass278.03
IUPAC Namephenalen-1-one;phosphoric acid
SMILESO=C1C=Cc2cccc3cccc1c23.O=P(O)(O)O
InChIInChI=1S/C13H8O.H3O4P/c14-12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10;1-5(2,3)4/h1-8H;(H3,1,2,3,4)
InChIKeyRTULUZWCCCJSBF-UHFFFAOYSA-N
XLogP2.12
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.20
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenalen-1-one;phosphoric acid?
The IUPAC name of phenalen-1-one;phosphoric acid (CID 70389787) is phenalen-1-one;phosphoric acid.
What is the SMILES notation for phenalen-1-one;phosphoric acid?
The canonical SMILES for phenalen-1-one;phosphoric acid is O=C1C=Cc2cccc3cccc1c23.O=P(O)(O)O.
What is the InChIKey of phenalen-1-one;phosphoric acid?
The InChIKey is RTULUZWCCCJSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O.H3O4P/c14-12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10;1-5(2,3)4/h1-8H;(H3,1,2,3,4).
What are the key properties of phenalen-1-one;phosphoric acid?
phenalen-1-one;phosphoric acid has a molecular weight of 278.20 g/mol, XLogP of 2.12, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenalen-1-one;phosphoric acid is sourced from PubChem (CID 70389787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).