4-chloro-1-methoxy-5-methyl-2H-1lambda5-phosphinine 1-oxide

C7H10ClO2P — CID 10954405

IUPAC4-chloro-1-methoxy-5-methyl-2H-1lambda5-phosphinine 1-oxide
SMILESCOP1(=O)C=C(C)C(Cl)=CC1
InChIInChI=1S/C7H10ClO2P/c1-6-5-11(9,10-2)4-3-7(6)8/h3,5H,4H2,1-2H3
InChIKeyJVRCJOCFWWSNKT-UHFFFAOYSA-N
MW192.58 g/mol
LogP2.95
Rot. Bonds1

About 4-chloro-1-methoxy-5-methyl-2H-1lambda5-phosphinine 1-oxide

4-chloro-1-methoxy-5-methyl-2H-1lambda5-phosphinine 1-oxide (PubChem CID 10954405) has the molecular formula C7H10ClO2P and a molecular weight of 192.58 g/mol. Its IUPAC name is 4-chloro-1-methoxy-5-methyl-2H-1lambda5-phosphinine 1-oxide.

Molecular Properties

Compound Name4-chloro-1-methoxy-5-methyl-2H-1lambda5-phosphinine 1-oxide
PubChem CID10954405
Molecular FormulaC7H10ClO2P
Molecular Weight192.58 g/mol
Exact Mass192.01
IUPAC Name4-chloro-1-methoxy-5-methyl-2H-1lambda5-phosphinine 1-oxide
SMILESCOP1(=O)C=C(C)C(Cl)=CC1
InChIInChI=1S/C7H10ClO2P/c1-6-5-11(9,10-2)4-3-7(6)8/h3,5H,4H2,1-2H3
InChIKeyJVRCJOCFWWSNKT-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.58
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,5-Dichloro-1-methoxy-3,6-dimethyl-phosphepine 1-oxide
CID 13811069
4-chloro-1-ethoxy-3,5-dimethyl-2H-1lambda5-phosphinine 1-oxide
CID 372643
4-chloro-3,5-dimethyl-1-propoxy-2H-1lambda5-phosphinine 1-oxide
CID 372644
4-chloro-3,5-dimethyl-1-propan-2-yloxy-2H-1lambda5-phosphinine 1-oxide
CID 374235
4-chloro-1-methoxy-5-methyl-3,6-dihydro-2H-1lambda5-phosphinine 1-oxide
CID 10932337
4-Chloro-1-methoxy-3,5-dimethyl-1,2-dihydro-1lambda~5~-phosphinin-1-one
CID 13811068
4-Chloro-1-hydroxy-3,5-dimethyl-1,2-dihydro-1lambda~5~-phosphinin-1-one
CID 13811071
4-chloro-1,5-dimethyl-2H-1lambda5-phosphinine 1-oxide
CID 10942999
4-chloro-1-methoxy-3-methyl-3,6-dihydro-2H-1lambda5-phosphinine 1-oxide
CID 10976380
4-chloro-1-ethoxy-5-methyl-2H-1lambda5-phosphinine 1-oxide
CID 11106545
(1Z,3E)-2-chloro-1-dimethoxyphosphoryl-3-ethylpenta-1,3-diene
CID 12644829
4-chloro-1-hydroxy-5-methyl-2H-1lambda5-phosphinine 1-oxide
CID 14117905

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methoxy-5-methyl-2H-1lambda5-phosphinine 1-oxide?
The IUPAC name of 4-chloro-1-methoxy-5-methyl-2H-1lambda5-phosphinine 1-oxide (CID 10954405) is 4-chloro-1-methoxy-5-methyl-2H-1lambda5-phosphinine 1-oxide.
What is the SMILES notation for 4-chloro-1-methoxy-5-methyl-2H-1lambda5-phosphinine 1-oxide?
The canonical SMILES for 4-chloro-1-methoxy-5-methyl-2H-1lambda5-phosphinine 1-oxide is COP1(=O)C=C(C)C(Cl)=CC1.
What is the InChIKey of 4-chloro-1-methoxy-5-methyl-2H-1lambda5-phosphinine 1-oxide?
The InChIKey is JVRCJOCFWWSNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClO2P/c1-6-5-11(9,10-2)4-3-7(6)8/h3,5H,4H2,1-2H3.
What are the key properties of 4-chloro-1-methoxy-5-methyl-2H-1lambda5-phosphinine 1-oxide?
4-chloro-1-methoxy-5-methyl-2H-1lambda5-phosphinine 1-oxide has a molecular weight of 192.58 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methoxy-5-methyl-2H-1lambda5-phosphinine 1-oxide is sourced from PubChem (CID 10954405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).