2-hydroxyisophosphindole 2-oxide

C8H7O2P — CID 123421536

IUPAC2-hydroxyisophosphindole 2-oxide
SMILESO=P1(O)C=c2ccccc2=C1
InChIInChI=1S/C8H7O2P/c9-11(10)5-7-3-1-2-4-8(7)6-11/h1-6H,(H,9,10)
InChIKeyKFCVGZLNDCBXQD-UHFFFAOYSA-N
MW166.12 g/mol
LogP0.45
Rot. Bonds

About 2-hydroxyisophosphindole 2-oxide

2-hydroxyisophosphindole 2-oxide (PubChem CID 123421536) has the molecular formula C8H7O2P and a molecular weight of 166.12 g/mol. Its IUPAC name is 2-hydroxyisophosphindole 2-oxide.

Molecular Properties

Compound Name2-hydroxyisophosphindole 2-oxide
PubChem CID123421536
Molecular FormulaC8H7O2P
Molecular Weight166.12 g/mol
Exact Mass166.02
IUPAC Name2-hydroxyisophosphindole 2-oxide
SMILESO=P1(O)C=c2ccccc2=C1
InChIInChI=1S/C8H7O2P/c9-11(10)5-7-3-1-2-4-8(7)6-11/h1-6H,(H,9,10)
InChIKeyKFCVGZLNDCBXQD-UHFFFAOYSA-N
XLogP0.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.12
LogP ≤ 50.45
H-Bond Donors ≤ 51
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-hydroxyisophosphindole 2-oxide?
The IUPAC name of 2-hydroxyisophosphindole 2-oxide (CID 123421536) is 2-hydroxyisophosphindole 2-oxide.
What is the SMILES notation for 2-hydroxyisophosphindole 2-oxide?
The canonical SMILES for 2-hydroxyisophosphindole 2-oxide is O=P1(O)C=c2ccccc2=C1.
What is the InChIKey of 2-hydroxyisophosphindole 2-oxide?
The InChIKey is KFCVGZLNDCBXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7O2P/c9-11(10)5-7-3-1-2-4-8(7)6-11/h1-6H,(H,9,10).
What are the key properties of 2-hydroxyisophosphindole 2-oxide?
2-hydroxyisophosphindole 2-oxide has a molecular weight of 166.12 g/mol, XLogP of 0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyisophosphindole 2-oxide is sourced from PubChem (CID 123421536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).