anthracen-9-yl(ethoxy)phosphinic acid

C16H15O3P — CID 102403899

IUPACanthracen-9-yl(ethoxy)phosphinic acid
SMILESCCOP(=O)(O)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C16H15O3P/c1-2-19-20(17,18)16-14-9-5-3-7-12(14)11-13-8-4-6-10-15(13)16/h3-11H,2H2,1H3,(H,17,18)
InChIKeyMEDAQFCHIXFKEC-UHFFFAOYSA-N
MW286.27 g/mol
LogP3.84
Rot. Bonds3

About anthracen-9-yl(ethoxy)phosphinic acid

anthracen-9-yl(ethoxy)phosphinic acid (PubChem CID 102403899) has the molecular formula C16H15O3P and a molecular weight of 286.27 g/mol. Its IUPAC name is anthracen-9-yl(ethoxy)phosphinic acid.

Molecular Properties

Compound Nameanthracen-9-yl(ethoxy)phosphinic acid
PubChem CID102403899
Molecular FormulaC16H15O3P
Molecular Weight286.27 g/mol
Exact Mass286.08
IUPAC Nameanthracen-9-yl(ethoxy)phosphinic acid
SMILESCCOP(=O)(O)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C16H15O3P/c1-2-19-20(17,18)16-14-9-5-3-7-12(14)11-13-8-4-6-10-15(13)16/h3-11H,2H2,1H3,(H,17,18)
InChIKeyMEDAQFCHIXFKEC-UHFFFAOYSA-N
XLogP3.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

anthracen-9-ylmethyl(ethoxy)phosphinic acid
CID 87175463
1-diethoxyphosphorylnaphthalen-2-ol
CID 15782261
anthracen-1-ylmethyl(ethoxy)phosphinic acid
CID 141159186
(2-ethoxyanthracen-1-yl)phosphonic acid
CID 152670322
[1-(2-diethoxyphosphoryloxynaphthalen-1-yl)naphthalen-2-yl] diethyl phosphate
CID 11432924
diethoxyphosphoryl(naphthalen-1-yl)methanone
CID 23002000
CID 67826545
CID 67826545
boric acid;9-ethoxyanthracene
CID 175362289
2-diethoxyphosphoryl-1-naphthalen-1-ylethanone
CID 152783662
(1R)-1-diethoxyphosphoryl-1-naphthalen-2-ylethanol
CID 15260930
ethyl 2-anthracen-9-yl-2-methoxyacetate
CID 10424514
1-anthracen-9-ylpropan-2-ylphosphonic acid
CID 160754255

Frequently Asked Questions

What is the IUPAC name of anthracen-9-yl(ethoxy)phosphinic acid?
The IUPAC name of anthracen-9-yl(ethoxy)phosphinic acid (CID 102403899) is anthracen-9-yl(ethoxy)phosphinic acid.
What is the SMILES notation for anthracen-9-yl(ethoxy)phosphinic acid?
The canonical SMILES for anthracen-9-yl(ethoxy)phosphinic acid is CCOP(=O)(O)c1c2ccccc2cc2ccccc12.
What is the InChIKey of anthracen-9-yl(ethoxy)phosphinic acid?
The InChIKey is MEDAQFCHIXFKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15O3P/c1-2-19-20(17,18)16-14-9-5-3-7-12(14)11-13-8-4-6-10-15(13)16/h3-11H,2H2,1H3,(H,17,18).
What are the key properties of anthracen-9-yl(ethoxy)phosphinic acid?
anthracen-9-yl(ethoxy)phosphinic acid has a molecular weight of 286.27 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-9-yl(ethoxy)phosphinic acid is sourced from PubChem (CID 102403899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).