(5-phosphononaphthalen-1-yl)phosphonic acid

C10H10O6P2 — CID 19899999

IUPAC(5-phosphononaphthalen-1-yl)phosphonic acid
SMILESO=P(O)(O)c1cccc2c(P(=O)(O)O)cccc12
InChIInChI=1S/C10H10O6P2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h1-6H,(H2,11,12,13)(H2,14,15,16)
InChIKeyHJHXKMDGTVNKKZ-UHFFFAOYSA-N
MW288.13 g/mol
LogP0.45
Rot. Bonds2

About (5-phosphononaphthalen-1-yl)phosphonic acid

(5-phosphononaphthalen-1-yl)phosphonic acid (PubChem CID 19899999) has the molecular formula C10H10O6P2 and a molecular weight of 288.13 g/mol. Its IUPAC name is (5-phosphononaphthalen-1-yl)phosphonic acid.

Molecular Properties

Compound Name(5-phosphononaphthalen-1-yl)phosphonic acid
PubChem CID19899999
Molecular FormulaC10H10O6P2
Molecular Weight288.13 g/mol
Exact Mass288.00
IUPAC Name(5-phosphononaphthalen-1-yl)phosphonic acid
SMILESO=P(O)(O)c1cccc2c(P(=O)(O)O)cccc12
InChIInChI=1S/C10H10O6P2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h1-6H,(H2,11,12,13)(H2,14,15,16)
InChIKeyHJHXKMDGTVNKKZ-UHFFFAOYSA-N
XLogP0.45
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 50.45
H-Bond Donors ≤ 54
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 (5-phosphononaphthalen-1-yl)phosphonic acid?
The IUPAC name of (5-phosphononaphthalen-1-yl)phosphonic acid (CID 19899999) is (5-phosphononaphthalen-1-yl)phosphonic acid.
What is the SMILES notation for (5-phosphononaphthalen-1-yl)phosphonic acid?
The canonical SMILES for (5-phosphononaphthalen-1-yl)phosphonic acid is O=P(O)(O)c1cccc2c(P(=O)(O)O)cccc12.
What is the InChIKey of (5-phosphononaphthalen-1-yl)phosphonic acid?
The InChIKey is HJHXKMDGTVNKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O6P2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h1-6H,(H2,11,12,13)(H2,14,15,16).
What are the key properties of (5-phosphononaphthalen-1-yl)phosphonic acid?
(5-phosphononaphthalen-1-yl)phosphonic acid has a molecular weight of 288.13 g/mol, XLogP of 0.45, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phosphononaphthalen-1-yl)phosphonic acid is sourced from PubChem (CID 19899999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).