3H-inden-4-ylphosphonic acid

C9H9O3P — CID 58071553

IUPAC3H-inden-4-ylphosphonic acid
SMILESO=P(O)(O)c1cccc2c1CC=C2
InChIInChI=1S/C9H9O3P/c10-13(11,12)9-6-2-4-7-3-1-5-8(7)9/h1-4,6H,5H2,(H2,10,11,12)
InChIKeySVYWNIOIVCZOLC-UHFFFAOYSA-N
MW196.14 g/mol
LogP1.06
Rot. Bonds1

About 3H-inden-4-ylphosphonic acid

3H-inden-4-ylphosphonic acid (PubChem CID 58071553) has the molecular formula C9H9O3P and a molecular weight of 196.14 g/mol. Its IUPAC name is 3H-inden-4-ylphosphonic acid.

Molecular Properties

Compound Name3H-inden-4-ylphosphonic acid
PubChem CID58071553
Molecular FormulaC9H9O3P
Molecular Weight196.14 g/mol
Exact Mass196.03
IUPAC Name3H-inden-4-ylphosphonic acid
SMILESO=P(O)(O)c1cccc2c1CC=C2
InChIInChI=1S/C9H9O3P/c10-13(11,12)9-6-2-4-7-3-1-5-8(7)9/h1-4,6H,5H2,(H2,10,11,12)
InChIKeySVYWNIOIVCZOLC-UHFFFAOYSA-N
XLogP1.06
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 51.06
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 3H-inden-4-ylphosphonic acid?
The IUPAC name of 3H-inden-4-ylphosphonic acid (CID 58071553) is 3H-inden-4-ylphosphonic acid.
What is the SMILES notation for 3H-inden-4-ylphosphonic acid?
The canonical SMILES for 3H-inden-4-ylphosphonic acid is O=P(O)(O)c1cccc2c1CC=C2.
What is the InChIKey of 3H-inden-4-ylphosphonic acid?
The InChIKey is SVYWNIOIVCZOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9O3P/c10-13(11,12)9-6-2-4-7-3-1-5-8(7)9/h1-4,6H,5H2,(H2,10,11,12).
What are the key properties of 3H-inden-4-ylphosphonic acid?
3H-inden-4-ylphosphonic acid has a molecular weight of 196.14 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-inden-4-ylphosphonic acid is sourced from PubChem (CID 58071553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).