6-hydroxy-9-methylbenzo[c][1,2]benzoxaphosphinine 6-oxide

C13H11O3P — CID 139761151

IUPAC6-hydroxy-9-methylbenzo[c][1,2]benzoxaphosphinine 6-oxide
SMILESCc1ccc2c(c1)-c1ccccc1OP2(=O)O
InChIInChI=1S/C13H11O3P/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)16-17(13,14)15/h2-8H,1H3,(H,14,15)
InChIKeyTYOBQLVLKLCKQG-UHFFFAOYSA-N
MW246.20 g/mol
LogP2.87
Rot. Bonds

About 6-hydroxy-9-methylbenzo[c][1,2]benzoxaphosphinine 6-oxide

6-hydroxy-9-methylbenzo[c][1,2]benzoxaphosphinine 6-oxide (PubChem CID 139761151) has the molecular formula C13H11O3P and a molecular weight of 246.20 g/mol. Its IUPAC name is 6-hydroxy-9-methylbenzo[c][1,2]benzoxaphosphinine 6-oxide.

Molecular Properties

Compound Name6-hydroxy-9-methylbenzo[c][1,2]benzoxaphosphinine 6-oxide
PubChem CID139761151
Molecular FormulaC13H11O3P
Molecular Weight246.20 g/mol
Exact Mass246.04
IUPAC Name6-hydroxy-9-methylbenzo[c][1,2]benzoxaphosphinine 6-oxide
SMILESCc1ccc2c(c1)-c1ccccc1OP2(=O)O
InChIInChI=1S/C13H11O3P/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)16-17(13,14)15/h2-8H,1H3,(H,14,15)
InChIKeyTYOBQLVLKLCKQG-UHFFFAOYSA-N
XLogP2.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.20
LogP ≤ 52.87
H-Bond Donors ≤ 51
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 6-hydroxy-9-methylbenzo[c][1,2]benzoxaphosphinine 6-oxide?
The IUPAC name of 6-hydroxy-9-methylbenzo[c][1,2]benzoxaphosphinine 6-oxide (CID 139761151) is 6-hydroxy-9-methylbenzo[c][1,2]benzoxaphosphinine 6-oxide.
What is the SMILES notation for 6-hydroxy-9-methylbenzo[c][1,2]benzoxaphosphinine 6-oxide?
The canonical SMILES for 6-hydroxy-9-methylbenzo[c][1,2]benzoxaphosphinine 6-oxide is Cc1ccc2c(c1)-c1ccccc1OP2(=O)O.
What is the InChIKey of 6-hydroxy-9-methylbenzo[c][1,2]benzoxaphosphinine 6-oxide?
The InChIKey is TYOBQLVLKLCKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11O3P/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)16-17(13,14)15/h2-8H,1H3,(H,14,15).
What are the key properties of 6-hydroxy-9-methylbenzo[c][1,2]benzoxaphosphinine 6-oxide?
6-hydroxy-9-methylbenzo[c][1,2]benzoxaphosphinine 6-oxide has a molecular weight of 246.20 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-9-methylbenzo[c][1,2]benzoxaphosphinine 6-oxide is sourced from PubChem (CID 139761151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).