(4-aminonaphthalen-1-yl) dihydrogen phosphate

C10H10NO4P — CID 19804587

IUPAC(4-aminonaphthalen-1-yl) dihydrogen phosphate
SMILESNc1ccc(OP(=O)(O)O)c2ccccc12
InChIInChI=1S/C10H10NO4P/c11-9-5-6-10(15-16(12,13)14)8-4-2-1-3-7(8)9/h1-6H,11H2,(H2,12,13,14)
InChIKeyCXZFGRWGANCGGU-UHFFFAOYSA-N
MW239.17 g/mol
LogP1.89
Rot. Bonds2

About (4-aminonaphthalen-1-yl) dihydrogen phosphate

(4-aminonaphthalen-1-yl) dihydrogen phosphate (PubChem CID 19804587) has the molecular formula C10H10NO4P and a molecular weight of 239.17 g/mol. Its IUPAC name is (4-aminonaphthalen-1-yl) dihydrogen phosphate.

Molecular Properties

Compound Name(4-aminonaphthalen-1-yl) dihydrogen phosphate
PubChem CID19804587
Molecular FormulaC10H10NO4P
Molecular Weight239.17 g/mol
Exact Mass239.03
IUPAC Name(4-aminonaphthalen-1-yl) dihydrogen phosphate
SMILESNc1ccc(OP(=O)(O)O)c2ccccc12
InChIInChI=1S/C10H10NO4P/c11-9-5-6-10(15-16(12,13)14)8-4-2-1-3-7(8)9/h1-6H,11H2,(H2,12,13,14)
InChIKeyCXZFGRWGANCGGU-UHFFFAOYSA-N
XLogP1.89
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.17
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-aminonaphthalen-1-yl) dihydrogen phosphate?
The IUPAC name of (4-aminonaphthalen-1-yl) dihydrogen phosphate (CID 19804587) is (4-aminonaphthalen-1-yl) dihydrogen phosphate.
What is the SMILES notation for (4-aminonaphthalen-1-yl) dihydrogen phosphate?
The canonical SMILES for (4-aminonaphthalen-1-yl) dihydrogen phosphate is Nc1ccc(OP(=O)(O)O)c2ccccc12.
What is the InChIKey of (4-aminonaphthalen-1-yl) dihydrogen phosphate?
The InChIKey is CXZFGRWGANCGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10NO4P/c11-9-5-6-10(15-16(12,13)14)8-4-2-1-3-7(8)9/h1-6H,11H2,(H2,12,13,14).
What are the key properties of (4-aminonaphthalen-1-yl) dihydrogen phosphate?
(4-aminonaphthalen-1-yl) dihydrogen phosphate has a molecular weight of 239.17 g/mol, XLogP of 1.89, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminonaphthalen-1-yl) dihydrogen phosphate is sourced from PubChem (CID 19804587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).