(1-ethoxynaphthalen-2-yl)methylphosphonic acid

C13H15O4P — CID 152656147

IUPAC(1-ethoxynaphthalen-2-yl)methylphosphonic acid
SMILESCCOc1c(CP(=O)(O)O)ccc2ccccc12
InChIInChI=1S/C13H15O4P/c1-2-17-13-11(9-18(14,15)16)8-7-10-5-3-4-6-12(10)13/h3-8H,2,9H2,1H3,(H2,14,15,16)
InChIKeyZIOLQNAMKJLCQB-UHFFFAOYSA-N
MW266.23 g/mol
LogP2.92
Rot. Bonds4

About (1-ethoxynaphthalen-2-yl)methylphosphonic acid

(1-ethoxynaphthalen-2-yl)methylphosphonic acid (PubChem CID 152656147) has the molecular formula C13H15O4P and a molecular weight of 266.23 g/mol. Its IUPAC name is (1-ethoxynaphthalen-2-yl)methylphosphonic acid.

Molecular Properties

Compound Name(1-ethoxynaphthalen-2-yl)methylphosphonic acid
PubChem CID152656147
Molecular FormulaC13H15O4P
Molecular Weight266.23 g/mol
Exact Mass266.07
IUPAC Name(1-ethoxynaphthalen-2-yl)methylphosphonic acid
SMILESCCOc1c(CP(=O)(O)O)ccc2ccccc12
InChIInChI=1S/C13H15O4P/c1-2-17-13-11(9-18(14,15)16)8-7-10-5-3-4-6-12(10)13/h3-8H,2,9H2,1H3,(H2,14,15,16)
InChIKeyZIOLQNAMKJLCQB-UHFFFAOYSA-N
XLogP2.92
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-ethoxynaphthalen-2-yl)methylphosphonic acid?
The IUPAC name of (1-ethoxynaphthalen-2-yl)methylphosphonic acid (CID 152656147) is (1-ethoxynaphthalen-2-yl)methylphosphonic acid.
What is the SMILES notation for (1-ethoxynaphthalen-2-yl)methylphosphonic acid?
The canonical SMILES for (1-ethoxynaphthalen-2-yl)methylphosphonic acid is CCOc1c(CP(=O)(O)O)ccc2ccccc12.
What is the InChIKey of (1-ethoxynaphthalen-2-yl)methylphosphonic acid?
The InChIKey is ZIOLQNAMKJLCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15O4P/c1-2-17-13-11(9-18(14,15)16)8-7-10-5-3-4-6-12(10)13/h3-8H,2,9H2,1H3,(H2,14,15,16).
What are the key properties of (1-ethoxynaphthalen-2-yl)methylphosphonic acid?
(1-ethoxynaphthalen-2-yl)methylphosphonic acid has a molecular weight of 266.23 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxynaphthalen-2-yl)methylphosphonic acid is sourced from PubChem (CID 152656147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).