6-hydroxy-7,8-dihydrobenzo[c][1,2]benzoxaphosphinine

C12H11O2P — CID 67004309

IUPAC6-hydroxy-7,8-dihydrobenzo[c][1,2]benzoxaphosphinine
SMILESOP1Oc2ccccc2C2=C1CCC=C2
InChIInChI=1S/C12H11O2P/c13-15-12-8-4-2-6-10(12)9-5-1-3-7-11(9)14-15/h1-3,5-7,13H,4,8H2
InChIKeyOLADITVWXAGHJV-UHFFFAOYSA-N
MW218.19 g/mol
LogP3.44
Rot. Bonds

About 6-hydroxy-7,8-dihydrobenzo[c][1,2]benzoxaphosphinine

6-hydroxy-7,8-dihydrobenzo[c][1,2]benzoxaphosphinine (PubChem CID 67004309) has the molecular formula C12H11O2P and a molecular weight of 218.19 g/mol. Its IUPAC name is 6-hydroxy-7,8-dihydrobenzo[c][1,2]benzoxaphosphinine.

Molecular Properties

Compound Name6-hydroxy-7,8-dihydrobenzo[c][1,2]benzoxaphosphinine
PubChem CID67004309
Molecular FormulaC12H11O2P
Molecular Weight218.19 g/mol
Exact Mass218.05
IUPAC Name6-hydroxy-7,8-dihydrobenzo[c][1,2]benzoxaphosphinine
SMILESOP1Oc2ccccc2C2=C1CCC=C2
InChIInChI=1S/C12H11O2P/c13-15-12-8-4-2-6-10(12)9-5-1-3-7-11(9)14-15/h1-3,5-7,13H,4,8H2
InChIKeyOLADITVWXAGHJV-UHFFFAOYSA-N
XLogP3.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.19
LogP ≤ 53.44
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-7,8-dihydrobenzo[c][1,2]benzoxaphosphinine?
The IUPAC name of 6-hydroxy-7,8-dihydrobenzo[c][1,2]benzoxaphosphinine (CID 67004309) is 6-hydroxy-7,8-dihydrobenzo[c][1,2]benzoxaphosphinine.
What is the SMILES notation for 6-hydroxy-7,8-dihydrobenzo[c][1,2]benzoxaphosphinine?
The canonical SMILES for 6-hydroxy-7,8-dihydrobenzo[c][1,2]benzoxaphosphinine is OP1Oc2ccccc2C2=C1CCC=C2.
What is the InChIKey of 6-hydroxy-7,8-dihydrobenzo[c][1,2]benzoxaphosphinine?
The InChIKey is OLADITVWXAGHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11O2P/c13-15-12-8-4-2-6-10(12)9-5-1-3-7-11(9)14-15/h1-3,5-7,13H,4,8H2.
What are the key properties of 6-hydroxy-7,8-dihydrobenzo[c][1,2]benzoxaphosphinine?
6-hydroxy-7,8-dihydrobenzo[c][1,2]benzoxaphosphinine has a molecular weight of 218.19 g/mol, XLogP of 3.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-7,8-dihydrobenzo[c][1,2]benzoxaphosphinine is sourced from PubChem (CID 67004309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).