CID 70521682

C15H11O4P — CID 70521682

IUPAC—
SMILESCOC1(P(=O)=O)C(=O)c2ccccc2-c2ccccc21
InChIInChI=1S/C15H11O4P/c1-19-15(20(17)18)13-9-5-4-7-11(13)10-6-2-3-8-12(10)14(15)16/h2-9H,1H3
InChIKeyAVKAUAJRAYQHDU-UHFFFAOYSA-N
MW286.22 g/mol
LogP3.52
Rot. Bonds2

About CID 70521682

CID 70521682 (PubChem CID 70521682) has the molecular formula C15H11O4P and a molecular weight of 286.22 g/mol.

Molecular Properties

Compound NameCID 70521682
PubChem CID70521682
Molecular FormulaC15H11O4P
Molecular Weight286.22 g/mol
Exact Mass286.04
IUPAC Name—
SMILESCOC1(P(=O)=O)C(=O)c2ccccc2-c2ccccc21
InChIInChI=1S/C15H11O4P/c1-19-15(20(17)18)13-9-5-4-7-11(13)10-6-2-3-8-12(10)14(15)16/h2-9H,1H3
InChIKeyAVKAUAJRAYQHDU-UHFFFAOYSA-N
XLogP3.52
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 70521682?
The IUPAC name of CID 70521682 (CID 70521682) is not available.
What is the SMILES notation for CID 70521682?
The canonical SMILES for CID 70521682 is COC1(P(=O)=O)C(=O)c2ccccc2-c2ccccc21.
What is the InChIKey of CID 70521682?
The InChIKey is AVKAUAJRAYQHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11O4P/c1-19-15(20(17)18)13-9-5-4-7-11(13)10-6-2-3-8-12(10)14(15)16/h2-9H,1H3.
What are the key properties of CID 70521682?
CID 70521682 has a molecular weight of 286.22 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70521682 is sourced from PubChem (CID 70521682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).