1-naphthalen-1-ylethenylphosphonic acid

C12H11O3P — CID 657859

IUPAC1-naphthalen-1-ylethenylphosphonic acid
SMILESC=C(c1cccc2ccccc12)P(=O)(O)O
InChIInChI=1S/C12H11O3P/c1-9(16(13,14)15)11-8-4-6-10-5-2-3-7-12(10)11/h2-8H,1H2,(H2,13,14,15)
InChIKeyZDNBHAWXBDXUSP-UHFFFAOYSA-N
MW234.19 g/mol
LogP2.99
Rot. Bonds2

About 1-naphthalen-1-ylethenylphosphonic acid

1-naphthalen-1-ylethenylphosphonic acid (PubChem CID 657859) has the molecular formula C12H11O3P and a molecular weight of 234.19 g/mol. Its IUPAC name is 1-naphthalen-1-ylethenylphosphonic acid.

Molecular Properties

Compound Name1-naphthalen-1-ylethenylphosphonic acid
PubChem CID657859
Molecular FormulaC12H11O3P
Molecular Weight234.19 g/mol
Exact Mass234.04
IUPAC Name1-naphthalen-1-ylethenylphosphonic acid
SMILESC=C(c1cccc2ccccc12)P(=O)(O)O
InChIInChI=1S/C12H11O3P/c1-9(16(13,14)15)11-8-4-6-10-5-2-3-7-12(10)11/h2-8H,1H2,(H2,13,14,15)
InChIKeyZDNBHAWXBDXUSP-UHFFFAOYSA-N
XLogP2.99
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.19
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-naphthalen-1-ylethenylphosphonic acid?
The IUPAC name of 1-naphthalen-1-ylethenylphosphonic acid (CID 657859) is 1-naphthalen-1-ylethenylphosphonic acid.
What is the SMILES notation for 1-naphthalen-1-ylethenylphosphonic acid?
The canonical SMILES for 1-naphthalen-1-ylethenylphosphonic acid is C=C(c1cccc2ccccc12)P(=O)(O)O.
What is the InChIKey of 1-naphthalen-1-ylethenylphosphonic acid?
The InChIKey is ZDNBHAWXBDXUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11O3P/c1-9(16(13,14)15)11-8-4-6-10-5-2-3-7-12(10)11/h2-8H,1H2,(H2,13,14,15).
What are the key properties of 1-naphthalen-1-ylethenylphosphonic acid?
1-naphthalen-1-ylethenylphosphonic acid has a molecular weight of 234.19 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-ylethenylphosphonic acid is sourced from PubChem (CID 657859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).