4-chloro-1-ethyl-5-methyl-2H-1λ5-phosphinine 1-oxide

C8H12ClOP — CID 86180065

IUPAC4-chloro-1-ethyl-5-methyl-2H-1λ5-phosphinine 1-oxide
SMILESCCP1(=O)C=C(C)C(Cl)=CC1
InChIInChI=1S/C8H12ClOP/c1-3-11(10)5-4-8(9)7(2)6-11/h4,6H,3,5H2,1-2H3
InChIKeyKZTRFSVXXGJPRQ-UHFFFAOYSA-N
MW190.61 g/mol
LogP3.41
Rot. Bonds1

About 4-chloro-1-ethyl-5-methyl-2H-1λ5-phosphinine 1-oxide

4-chloro-1-ethyl-5-methyl-2H-1λ5-phosphinine 1-oxide (PubChem CID 86180065) has the molecular formula C8H12ClOP and a molecular weight of 190.61 g/mol. Its IUPAC name is 4-chloro-1-ethyl-5-methyl-2H-1λ5-phosphinine 1-oxide.

Molecular Properties

Compound Name4-chloro-1-ethyl-5-methyl-2H-1λ5-phosphinine 1-oxide
PubChem CID86180065
Molecular FormulaC8H12ClOP
Molecular Weight190.61 g/mol
Exact Mass190.03
IUPAC Name4-chloro-1-ethyl-5-methyl-2H-1λ5-phosphinine 1-oxide
SMILESCCP1(=O)C=C(C)C(Cl)=CC1
InChIInChI=1S/C8H12ClOP/c1-3-11(10)5-4-8(9)7(2)6-11/h4,6H,3,5H2,1-2H3
InChIKeyKZTRFSVXXGJPRQ-UHFFFAOYSA-N
XLogP3.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.61
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-5-methyl-2H-1λ5-phosphinine 1-oxide?
The IUPAC name of 4-chloro-1-ethyl-5-methyl-2H-1λ5-phosphinine 1-oxide (CID 86180065) is 4-chloro-1-ethyl-5-methyl-2H-1λ5-phosphinine 1-oxide.
What is the SMILES notation for 4-chloro-1-ethyl-5-methyl-2H-1λ5-phosphinine 1-oxide?
The canonical SMILES for 4-chloro-1-ethyl-5-methyl-2H-1λ5-phosphinine 1-oxide is CCP1(=O)C=C(C)C(Cl)=CC1.
What is the InChIKey of 4-chloro-1-ethyl-5-methyl-2H-1λ5-phosphinine 1-oxide?
The InChIKey is KZTRFSVXXGJPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClOP/c1-3-11(10)5-4-8(9)7(2)6-11/h4,6H,3,5H2,1-2H3.
What are the key properties of 4-chloro-1-ethyl-5-methyl-2H-1λ5-phosphinine 1-oxide?
4-chloro-1-ethyl-5-methyl-2H-1λ5-phosphinine 1-oxide has a molecular weight of 190.61 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-5-methyl-2H-1λ5-phosphinine 1-oxide is sourced from PubChem (CID 86180065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).