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

C8H8ClO2P — CID 15403802

IUPAC2-chloro-8-methyl-4H-1,3,2-benzodioxaphosphinine
SMILESCc1cccc2c1OP(Cl)OC2
InChIInChI=1S/C8H8ClO2P/c1-6-3-2-4-7-5-10-12(9)11-8(6)7/h2-4H,5H2,1H3
InChIKeyMLOZFJWYOHVQQS-UHFFFAOYSA-N
MW202.58 g/mol
LogP3.37
Rot. Bonds

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

2-chloro-8-methyl-4H-1,3,2-benzodioxaphosphinine (PubChem CID 15403802) has the molecular formula C8H8ClO2P and a molecular weight of 202.58 g/mol. Its IUPAC name is 2-chloro-8-methyl-4H-1,3,2-benzodioxaphosphinine.

Molecular Properties

Compound Name2-chloro-8-methyl-4H-1,3,2-benzodioxaphosphinine
PubChem CID15403802
Molecular FormulaC8H8ClO2P
Molecular Weight202.58 g/mol
Exact Mass202.00
IUPAC Name2-chloro-8-methyl-4H-1,3,2-benzodioxaphosphinine
SMILESCc1cccc2c1OP(Cl)OC2
InChIInChI=1S/C8H8ClO2P/c1-6-3-2-4-7-5-10-12(9)11-8(6)7/h2-4H,5H2,1H3
InChIKeyMLOZFJWYOHVQQS-UHFFFAOYSA-N
XLogP3.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.58
LogP ≤ 53.37
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 2-chloro-8-methyl-4H-1,3,2-benzodioxaphosphinine?
The IUPAC name of 2-chloro-8-methyl-4H-1,3,2-benzodioxaphosphinine (CID 15403802) is 2-chloro-8-methyl-4H-1,3,2-benzodioxaphosphinine.
What is the SMILES notation for 2-chloro-8-methyl-4H-1,3,2-benzodioxaphosphinine?
The canonical SMILES for 2-chloro-8-methyl-4H-1,3,2-benzodioxaphosphinine is Cc1cccc2c1OP(Cl)OC2.
What is the InChIKey of 2-chloro-8-methyl-4H-1,3,2-benzodioxaphosphinine?
The InChIKey is MLOZFJWYOHVQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClO2P/c1-6-3-2-4-7-5-10-12(9)11-8(6)7/h2-4H,5H2,1H3.
What are the key properties of 2-chloro-8-methyl-4H-1,3,2-benzodioxaphosphinine?
2-chloro-8-methyl-4H-1,3,2-benzodioxaphosphinine has a molecular weight of 202.58 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-methyl-4H-1,3,2-benzodioxaphosphinine is sourced from PubChem (CID 15403802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).