7-dimethoxyphosphorylnaphthalene-2-carboxylic acid

C13H13O5P — CID 169170701

IUPAC7-dimethoxyphosphorylnaphthalene-2-carboxylic acid
SMILESCOP(=O)(OC)c1ccc2ccc(C(=O)O)cc2c1
InChIInChI=1S/C13H13O5P/c1-17-19(16,18-2)12-6-5-9-3-4-10(13(14)15)7-11(9)8-12/h3-8H,1-2H3,(H,14,15)
InChIKeyKDCZNYOTNUYOJU-UHFFFAOYSA-N
MW280.22 g/mol
LogP2.65
Rot. Bonds4

About 7-dimethoxyphosphorylnaphthalene-2-carboxylic acid

7-dimethoxyphosphorylnaphthalene-2-carboxylic acid (PubChem CID 169170701) has the molecular formula C13H13O5P and a molecular weight of 280.22 g/mol. Its IUPAC name is 7-dimethoxyphosphorylnaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name7-dimethoxyphosphorylnaphthalene-2-carboxylic acid
PubChem CID169170701
Molecular FormulaC13H13O5P
Molecular Weight280.22 g/mol
Exact Mass280.05
IUPAC Name7-dimethoxyphosphorylnaphthalene-2-carboxylic acid
SMILESCOP(=O)(OC)c1ccc2ccc(C(=O)O)cc2c1
InChIInChI=1S/C13H13O5P/c1-17-19(16,18-2)12-6-5-9-3-4-10(13(14)15)7-11(9)8-12/h3-8H,1-2H3,(H,14,15)
InChIKeyKDCZNYOTNUYOJU-UHFFFAOYSA-N
XLogP2.65
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-dimethoxyphosphorylnaphthalene-2-carboxylic acid?
The IUPAC name of 7-dimethoxyphosphorylnaphthalene-2-carboxylic acid (CID 169170701) is 7-dimethoxyphosphorylnaphthalene-2-carboxylic acid.
What is the SMILES notation for 7-dimethoxyphosphorylnaphthalene-2-carboxylic acid?
The canonical SMILES for 7-dimethoxyphosphorylnaphthalene-2-carboxylic acid is COP(=O)(OC)c1ccc2ccc(C(=O)O)cc2c1.
What is the InChIKey of 7-dimethoxyphosphorylnaphthalene-2-carboxylic acid?
The InChIKey is KDCZNYOTNUYOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13O5P/c1-17-19(16,18-2)12-6-5-9-3-4-10(13(14)15)7-11(9)8-12/h3-8H,1-2H3,(H,14,15).
What are the key properties of 7-dimethoxyphosphorylnaphthalene-2-carboxylic acid?
7-dimethoxyphosphorylnaphthalene-2-carboxylic acid has a molecular weight of 280.22 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-dimethoxyphosphorylnaphthalene-2-carboxylic acid is sourced from PubChem (CID 169170701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).