8-phosphonooxynaphthalene-1-carboxylic acid

C11H9O6P — CID 171384485

IUPAC8-phosphonooxynaphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2cccc(OP(=O)(O)O)c12
InChIInChI=1S/C11H9O6P/c12-11(13)8-5-1-3-7-4-2-6-9(10(7)8)17-18(14,15)16/h1-6H,(H,12,13)(H2,14,15,16)
InChIKeyUJQIRCUEGYCBGM-UHFFFAOYSA-N
MW268.16 g/mol
LogP2.01
Rot. Bonds3

About 8-phosphonooxynaphthalene-1-carboxylic acid

8-phosphonooxynaphthalene-1-carboxylic acid (PubChem CID 171384485) has the molecular formula C11H9O6P and a molecular weight of 268.16 g/mol. Its IUPAC name is 8-phosphonooxynaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name8-phosphonooxynaphthalene-1-carboxylic acid
PubChem CID171384485
Molecular FormulaC11H9O6P
Molecular Weight268.16 g/mol
Exact Mass268.01
IUPAC Name8-phosphonooxynaphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2cccc(OP(=O)(O)O)c12
InChIInChI=1S/C11H9O6P/c12-11(13)8-5-1-3-7-4-2-6-9(10(7)8)17-18(14,15)16/h1-6H,(H,12,13)(H2,14,15,16)
InChIKeyUJQIRCUEGYCBGM-UHFFFAOYSA-N
XLogP2.01
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;2-phosphonooxybenzoic acid
CID 174241105
benzene;naphthalene-1,8-dicarboxylic acid
CID 174823001
naphthalene-1,8-dicarboxylic acid;silver
CID 91865760
sodium;hydride;naphthalene-1,8-dicarboxylic acid
CID 175149963
[8-[2-(dimethylamino)ethyl]naphthalen-1-yl] dihydrogen phosphate
CID 178091436
1,8-bis(diphenylphosphoryloxy)naphthalene
CID 631205
2-bis(2-carboxyphenoxy)phosphoryloxybenzoic acid
CID 23615741
8-(8-formyloxynaphthalen-1-yl)naphthalene-1-carboxylic acid
CID 167424646
8-(methoxycarbamoyl)naphthalene-1-carboxylic acid
CID 64974107
(2-tritylphenyl) dihydrogen phosphate
CID 69421021
(3-acetyl-2-iodylphenyl) dihydrogen phosphate
CID 23357307
phosphoric acid;phthalic acid
CID 175071379

Frequently Asked Questions

What is the IUPAC name of 8-phosphonooxynaphthalene-1-carboxylic acid?
The IUPAC name of 8-phosphonooxynaphthalene-1-carboxylic acid (CID 171384485) is 8-phosphonooxynaphthalene-1-carboxylic acid.
What is the SMILES notation for 8-phosphonooxynaphthalene-1-carboxylic acid?
The canonical SMILES for 8-phosphonooxynaphthalene-1-carboxylic acid is O=C(O)c1cccc2cccc(OP(=O)(O)O)c12.
What is the InChIKey of 8-phosphonooxynaphthalene-1-carboxylic acid?
The InChIKey is UJQIRCUEGYCBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9O6P/c12-11(13)8-5-1-3-7-4-2-6-9(10(7)8)17-18(14,15)16/h1-6H,(H,12,13)(H2,14,15,16).
What are the key properties of 8-phosphonooxynaphthalene-1-carboxylic acid?
8-phosphonooxynaphthalene-1-carboxylic acid has a molecular weight of 268.16 g/mol, XLogP of 2.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phosphonooxynaphthalene-1-carboxylic acid is sourced from PubChem (CID 171384485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).