1-(1-chloropropan-2-yloxy)-3-methyl-2,5-dihydro-1λ5-phosphole 1-oxide

C8H14ClO2P — CID 12753823

IUPAC1-(1-chloropropan-2-yloxy)-3-methyl-2,5-dihydro-1λ5-phosphole 1-oxide
SMILESCC1=CCP(=O)(OC(C)CCl)C1
InChIInChI=1S/C8H14ClO2P/c1-7-3-4-12(10,6-7)11-8(2)5-9/h3,8H,4-6H2,1-2H3
InChIKeyFEGUUSYETKUGGW-UHFFFAOYSA-N
MW208.62 g/mol
LogP2.87
Rot. Bonds3

About 1-(1-chloropropan-2-yloxy)-3-methyl-2,5-dihydro-1λ5-phosphole 1-oxide

1-(1-chloropropan-2-yloxy)-3-methyl-2,5-dihydro-1λ5-phosphole 1-oxide (PubChem CID 12753823) has the molecular formula C8H14ClO2P and a molecular weight of 208.62 g/mol. Its IUPAC name is 1-(1-chloropropan-2-yloxy)-3-methyl-2,5-dihydro-1λ5-phosphole 1-oxide.

Molecular Properties

Compound Name1-(1-chloropropan-2-yloxy)-3-methyl-2,5-dihydro-1λ5-phosphole 1-oxide
PubChem CID12753823
Molecular FormulaC8H14ClO2P
Molecular Weight208.62 g/mol
Exact Mass208.04
IUPAC Name1-(1-chloropropan-2-yloxy)-3-methyl-2,5-dihydro-1λ5-phosphole 1-oxide
SMILESCC1=CCP(=O)(OC(C)CCl)C1
InChIInChI=1S/C8H14ClO2P/c1-7-3-4-12(10,6-7)11-8(2)5-9/h3,8H,4-6H2,1-2H3
InChIKeyFEGUUSYETKUGGW-UHFFFAOYSA-N
XLogP2.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.62
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Chloroethoxy)-3-methyl-2,5-dihydro-1lambda5-phosphole 1-oxide
CID 2784501
1-(2-Chloroethoxy)-3,4-dimethylphospholen-1-one
CID 4084814
2-(4-chlorobutan-2-yloxy)-5-methyl-3H-1,2lambda5-oxaphosphole 2-oxide
CID 23280293
1-(4-Chlorobutan-2-yloxy)-3,4-dimethyl-2,5-dihydro-1lambda5-phosphole 1-oxide
CID 23280295
1-(1-Chloropropan-2-yloxy)-2-methyl-2,5-dihydro-1lambda5-phosphole 1-oxide
CID 129985661
1-(3-Chlorobutan-2-yloxy)-2,5-dihydro-1lambda5-phosphole 1-oxide
CID 129987790

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloropropan-2-yloxy)-3-methyl-2,5-dihydro-1λ5-phosphole 1-oxide?
The IUPAC name of 1-(1-chloropropan-2-yloxy)-3-methyl-2,5-dihydro-1λ5-phosphole 1-oxide (CID 12753823) is 1-(1-chloropropan-2-yloxy)-3-methyl-2,5-dihydro-1λ5-phosphole 1-oxide.
What is the SMILES notation for 1-(1-chloropropan-2-yloxy)-3-methyl-2,5-dihydro-1λ5-phosphole 1-oxide?
The canonical SMILES for 1-(1-chloropropan-2-yloxy)-3-methyl-2,5-dihydro-1λ5-phosphole 1-oxide is CC1=CCP(=O)(OC(C)CCl)C1.
What is the InChIKey of 1-(1-chloropropan-2-yloxy)-3-methyl-2,5-dihydro-1λ5-phosphole 1-oxide?
The InChIKey is FEGUUSYETKUGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClO2P/c1-7-3-4-12(10,6-7)11-8(2)5-9/h3,8H,4-6H2,1-2H3.
What are the key properties of 1-(1-chloropropan-2-yloxy)-3-methyl-2,5-dihydro-1λ5-phosphole 1-oxide?
1-(1-chloropropan-2-yloxy)-3-methyl-2,5-dihydro-1λ5-phosphole 1-oxide has a molecular weight of 208.62 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloropropan-2-yloxy)-3-methyl-2,5-dihydro-1λ5-phosphole 1-oxide is sourced from PubChem (CID 12753823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).