2-naphthalen-1-ylethylphosphonic acid

C12H13O3P — CID 10082823

IUPAC2-naphthalen-1-ylethylphosphonic acid
SMILESO=P(O)(O)CCc1cccc2ccccc12
InChIInChI=1S/C12H13O3P/c13-16(14,15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2,(H2,13,14,15)
InChIKeySGAHHSAMYIOZPH-UHFFFAOYSA-N
MW236.21 g/mol
LogP2.56
Rot. Bonds3

About 2-naphthalen-1-ylethylphosphonic acid

2-naphthalen-1-ylethylphosphonic acid (PubChem CID 10082823) has the molecular formula C12H13O3P and a molecular weight of 236.21 g/mol. Its IUPAC name is 2-naphthalen-1-ylethylphosphonic acid.

Molecular Properties

Compound Name2-naphthalen-1-ylethylphosphonic acid
PubChem CID10082823
Molecular FormulaC12H13O3P
Molecular Weight236.21 g/mol
Exact Mass236.06
IUPAC Name2-naphthalen-1-ylethylphosphonic acid
SMILESO=P(O)(O)CCc1cccc2ccccc12
InChIInChI=1S/C12H13O3P/c13-16(14,15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2,(H2,13,14,15)
InChIKeySGAHHSAMYIOZPH-UHFFFAOYSA-N
XLogP2.56
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 52.56
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 2-naphthalen-1-ylethylphosphonic acid?
The IUPAC name of 2-naphthalen-1-ylethylphosphonic acid (CID 10082823) is 2-naphthalen-1-ylethylphosphonic acid.
What is the SMILES notation for 2-naphthalen-1-ylethylphosphonic acid?
The canonical SMILES for 2-naphthalen-1-ylethylphosphonic acid is O=P(O)(O)CCc1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-ylethylphosphonic acid?
The InChIKey is SGAHHSAMYIOZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13O3P/c13-16(14,15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2,(H2,13,14,15).
What are the key properties of 2-naphthalen-1-ylethylphosphonic acid?
2-naphthalen-1-ylethylphosphonic acid has a molecular weight of 236.21 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-ylethylphosphonic acid is sourced from PubChem (CID 10082823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).