8-methyl-4H-1,3,2-benzodioxaphosphinine

C8H9O2P — CID 143914921

IUPAC8-methyl-4H-1,3,2-benzodioxaphosphinine
SMILESCc1cccc2c1OPOC2
InChIInChI=1S/C8H9O2P/c1-6-3-2-4-7-5-9-11-10-8(6)7/h2-4,11H,5H2,1H3
InChIKeyQSYOEWQBZZMASU-UHFFFAOYSA-N
MW168.13 g/mol
LogP2.41
Rot. Bonds

About 8-methyl-4H-1,3,2-benzodioxaphosphinine

8-methyl-4H-1,3,2-benzodioxaphosphinine (PubChem CID 143914921) has the molecular formula C8H9O2P and a molecular weight of 168.13 g/mol. Its IUPAC name is 8-methyl-4H-1,3,2-benzodioxaphosphinine.

Molecular Properties

Compound Name8-methyl-4H-1,3,2-benzodioxaphosphinine
PubChem CID143914921
Molecular FormulaC8H9O2P
Molecular Weight168.13 g/mol
Exact Mass168.03
IUPAC Name8-methyl-4H-1,3,2-benzodioxaphosphinine
SMILESCc1cccc2c1OPOC2
InChIInChI=1S/C8H9O2P/c1-6-3-2-4-7-5-9-11-10-8(6)7/h2-4,11H,5H2,1H3
InChIKeyQSYOEWQBZZMASU-UHFFFAOYSA-N
XLogP2.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.13
LogP ≤ 52.41
H-Bond Donors ≤ 50
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 8-methyl-4H-1,3,2-benzodioxaphosphinine?
The IUPAC name of 8-methyl-4H-1,3,2-benzodioxaphosphinine (CID 143914921) is 8-methyl-4H-1,3,2-benzodioxaphosphinine.
What is the SMILES notation for 8-methyl-4H-1,3,2-benzodioxaphosphinine?
The canonical SMILES for 8-methyl-4H-1,3,2-benzodioxaphosphinine is Cc1cccc2c1OPOC2.
What is the InChIKey of 8-methyl-4H-1,3,2-benzodioxaphosphinine?
The InChIKey is QSYOEWQBZZMASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O2P/c1-6-3-2-4-7-5-9-11-10-8(6)7/h2-4,11H,5H2,1H3.
What are the key properties of 8-methyl-4H-1,3,2-benzodioxaphosphinine?
8-methyl-4H-1,3,2-benzodioxaphosphinine has a molecular weight of 168.13 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4H-1,3,2-benzodioxaphosphinine is sourced from PubChem (CID 143914921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).