2-chloro-5-methyl-3-phenyl-1,3,4,2-oxadiazaphosphole

C8H8ClN2OP — CID 10921872

IUPAC2-chloro-5-methyl-3-phenyl-1,3,4,2-oxadiazaphosphole
SMILESCC1=NN(c2ccccc2)P(Cl)O1
InChIInChI=1S/C8H8ClN2OP/c1-7-10-11(13(9)12-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyBQQPPYSTFJXHAQ-UHFFFAOYSA-N
MW214.59 g/mol
LogP3.32
Rot. Bonds1

About 2-chloro-5-methyl-3-phenyl-1,3,4,2-oxadiazaphosphole

2-chloro-5-methyl-3-phenyl-1,3,4,2-oxadiazaphosphole (PubChem CID 10921872) has the molecular formula C8H8ClN2OP and a molecular weight of 214.59 g/mol. Its IUPAC name is 2-chloro-5-methyl-3-phenyl-1,3,4,2-oxadiazaphosphole.

Molecular Properties

Compound Name2-chloro-5-methyl-3-phenyl-1,3,4,2-oxadiazaphosphole
PubChem CID10921872
Molecular FormulaC8H8ClN2OP
Molecular Weight214.59 g/mol
Exact Mass214.01
IUPAC Name2-chloro-5-methyl-3-phenyl-1,3,4,2-oxadiazaphosphole
SMILESCC1=NN(c2ccccc2)P(Cl)O1
InChIInChI=1S/C8H8ClN2OP/c1-7-10-11(13(9)12-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyBQQPPYSTFJXHAQ-UHFFFAOYSA-N
XLogP3.32
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.59
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-5-methyl-3-phenyl-1,3,4,2-oxadiazaphosphole?
The IUPAC name of 2-chloro-5-methyl-3-phenyl-1,3,4,2-oxadiazaphosphole (CID 10921872) is 2-chloro-5-methyl-3-phenyl-1,3,4,2-oxadiazaphosphole.
What is the SMILES notation for 2-chloro-5-methyl-3-phenyl-1,3,4,2-oxadiazaphosphole?
The canonical SMILES for 2-chloro-5-methyl-3-phenyl-1,3,4,2-oxadiazaphosphole is CC1=NN(c2ccccc2)P(Cl)O1.
What is the InChIKey of 2-chloro-5-methyl-3-phenyl-1,3,4,2-oxadiazaphosphole?
The InChIKey is BQQPPYSTFJXHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN2OP/c1-7-10-11(13(9)12-7)8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of 2-chloro-5-methyl-3-phenyl-1,3,4,2-oxadiazaphosphole?
2-chloro-5-methyl-3-phenyl-1,3,4,2-oxadiazaphosphole has a molecular weight of 214.59 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-3-phenyl-1,3,4,2-oxadiazaphosphole is sourced from PubChem (CID 10921872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).