CID 175760078

C11H15KO3P — CID 175760078

IUPAC—
SMILESC=Cc1ccc(CP(=O)(OC)OC)cc1.[K]
InChIInChI=1S/C11H15O3P.K/c1-4-10-5-7-11(8-6-10)9-15(12,13-2)14-3;/h4-8H,1,9H2,2-3H3;
InChIKeyHGKQNOUIMNMHIS-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.93
Rot. Bonds5

About CID 175760078

CID 175760078 (PubChem CID 175760078) has the molecular formula C11H15KO3P and a molecular weight of 265.31 g/mol.

Molecular Properties

Compound NameCID 175760078
PubChem CID175760078
Molecular FormulaC11H15KO3P
Molecular Weight265.31 g/mol
Exact Mass265.04
IUPAC Name—
SMILESC=Cc1ccc(CP(=O)(OC)OC)cc1.[K]
InChIInChI=1S/C11H15O3P.K/c1-4-10-5-7-11(8-6-10)9-15(12,13-2)14-3;/h4-8H,1,9H2,2-3H3;
InChIKeyHGKQNOUIMNMHIS-UHFFFAOYSA-N
XLogP2.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 175760078?
The IUPAC name of CID 175760078 (CID 175760078) is not available.
What is the SMILES notation for CID 175760078?
The canonical SMILES for CID 175760078 is C=Cc1ccc(CP(=O)(OC)OC)cc1.[K].
What is the InChIKey of CID 175760078?
The InChIKey is HGKQNOUIMNMHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15O3P.K/c1-4-10-5-7-11(8-6-10)9-15(12,13-2)14-3;/h4-8H,1,9H2,2-3H3;.
What are the key properties of CID 175760078?
CID 175760078 has a molecular weight of 265.31 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175760078 is sourced from PubChem (CID 175760078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).