9-dimethoxyphosphorylphenanthrene

C16H15O3P — CID 12558114

IUPAC9-dimethoxyphosphorylphenanthrene
SMILESCOP(=O)(OC)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C16H15O3P/c1-18-20(17,19-2)16-11-12-7-3-4-8-13(12)14-9-5-6-10-15(14)16/h3-11H,1-2H3
InChIKeyWSADTFAIDHNVIE-UHFFFAOYSA-N
MW286.27 g/mol
LogP4.10
Rot. Bonds3

About 9-dimethoxyphosphorylphenanthrene

9-dimethoxyphosphorylphenanthrene (PubChem CID 12558114) has the molecular formula C16H15O3P and a molecular weight of 286.27 g/mol. Its IUPAC name is 9-dimethoxyphosphorylphenanthrene.

Molecular Properties

Compound Name9-dimethoxyphosphorylphenanthrene
PubChem CID12558114
Molecular FormulaC16H15O3P
Molecular Weight286.27 g/mol
Exact Mass286.08
IUPAC Name9-dimethoxyphosphorylphenanthrene
SMILESCOP(=O)(OC)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C16H15O3P/c1-18-20(17,19-2)16-11-12-7-3-4-8-13(12)14-9-5-6-10-15(14)16/h3-11H,1-2H3
InChIKeyWSADTFAIDHNVIE-UHFFFAOYSA-N
XLogP4.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-dimethoxyphosphorylphenanthrene?
The IUPAC name of 9-dimethoxyphosphorylphenanthrene (CID 12558114) is 9-dimethoxyphosphorylphenanthrene.
What is the SMILES notation for 9-dimethoxyphosphorylphenanthrene?
The canonical SMILES for 9-dimethoxyphosphorylphenanthrene is COP(=O)(OC)c1cc2ccccc2c2ccccc12.
What is the InChIKey of 9-dimethoxyphosphorylphenanthrene?
The InChIKey is WSADTFAIDHNVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15O3P/c1-18-20(17,19-2)16-11-12-7-3-4-8-13(12)14-9-5-6-10-15(14)16/h3-11H,1-2H3.
What are the key properties of 9-dimethoxyphosphorylphenanthrene?
9-dimethoxyphosphorylphenanthrene has a molecular weight of 286.27 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dimethoxyphosphorylphenanthrene is sourced from PubChem (CID 12558114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).