(2-ethoxyanthracen-1-yl)phosphonic acid

C16H15O4P — CID 152670322

IUPAC(2-ethoxyanthracen-1-yl)phosphonic acid
SMILESCCOc1ccc2cc3ccccc3cc2c1P(=O)(O)O
InChIInChI=1S/C16H15O4P/c1-2-20-15-8-7-13-9-11-5-3-4-6-12(11)10-14(13)16(15)21(17,18)19/h3-10H,2H2,1H3,(H2,17,18,19)
InChIKeyZLJXGDSLMSQKJM-UHFFFAOYSA-N
MW302.27 g/mol
LogP3.19
Rot. Bonds3

About (2-ethoxyanthracen-1-yl)phosphonic acid

(2-ethoxyanthracen-1-yl)phosphonic acid (PubChem CID 152670322) has the molecular formula C16H15O4P and a molecular weight of 302.27 g/mol. Its IUPAC name is (2-ethoxyanthracen-1-yl)phosphonic acid.

Molecular Properties

Compound Name(2-ethoxyanthracen-1-yl)phosphonic acid
PubChem CID152670322
Molecular FormulaC16H15O4P
Molecular Weight302.27 g/mol
Exact Mass302.07
IUPAC Name(2-ethoxyanthracen-1-yl)phosphonic acid
SMILESCCOc1ccc2cc3ccccc3cc2c1P(=O)(O)O
InChIInChI=1S/C16H15O4P/c1-2-20-15-8-7-13-9-11-5-3-4-6-12(11)10-14(13)16(15)21(17,18)19/h3-10H,2H2,1H3,(H2,17,18,19)
InChIKeyZLJXGDSLMSQKJM-UHFFFAOYSA-N
XLogP3.19
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.27
LogP ≤ 53.19
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of (2-ethoxyanthracen-1-yl)phosphonic acid?
The IUPAC name of (2-ethoxyanthracen-1-yl)phosphonic acid (CID 152670322) is (2-ethoxyanthracen-1-yl)phosphonic acid.
What is the SMILES notation for (2-ethoxyanthracen-1-yl)phosphonic acid?
The canonical SMILES for (2-ethoxyanthracen-1-yl)phosphonic acid is CCOc1ccc2cc3ccccc3cc2c1P(=O)(O)O.
What is the InChIKey of (2-ethoxyanthracen-1-yl)phosphonic acid?
The InChIKey is ZLJXGDSLMSQKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15O4P/c1-2-20-15-8-7-13-9-11-5-3-4-6-12(11)10-14(13)16(15)21(17,18)19/h3-10H,2H2,1H3,(H2,17,18,19).
What are the key properties of (2-ethoxyanthracen-1-yl)phosphonic acid?
(2-ethoxyanthracen-1-yl)phosphonic acid has a molecular weight of 302.27 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyanthracen-1-yl)phosphonic acid is sourced from PubChem (CID 152670322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).