1-(2-chloroethoxy)-2,5-dihydro-1λ5-phosphole 1-oxide

C6H10ClO2P — CID 23270737

IUPAC1-(2-chloroethoxy)-2,5-dihydro-1λ5-phosphole 1-oxide
SMILESO=P1(OCCCl)CC=CC1
InChIInChI=1S/C6H10ClO2P/c7-3-4-9-10(8)5-1-2-6-10/h1-2H,3-6H2
InChIKeyACRYLIHGFUNZIE-UHFFFAOYSA-N
MW180.57 g/mol
LogP2.09
Rot. Bonds3

About 1-(2-chloroethoxy)-2,5-dihydro-1λ5-phosphole 1-oxide

1-(2-chloroethoxy)-2,5-dihydro-1λ5-phosphole 1-oxide (PubChem CID 23270737) has the molecular formula C6H10ClO2P and a molecular weight of 180.57 g/mol. Its IUPAC name is 1-(2-chloroethoxy)-2,5-dihydro-1λ5-phosphole 1-oxide.

Molecular Properties

Compound Name1-(2-chloroethoxy)-2,5-dihydro-1λ5-phosphole 1-oxide
PubChem CID23270737
Molecular FormulaC6H10ClO2P
Molecular Weight180.57 g/mol
Exact Mass180.01
IUPAC Name1-(2-chloroethoxy)-2,5-dihydro-1λ5-phosphole 1-oxide
SMILESO=P1(OCCCl)CC=CC1
InChIInChI=1S/C6H10ClO2P/c7-3-4-9-10(8)5-1-2-6-10/h1-2H,3-6H2
InChIKeyACRYLIHGFUNZIE-UHFFFAOYSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.57
LogP ≤ 52.09
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

(E)-3-chloro-1-diethoxyphosphorylprop-1-ene
CID 13953137
Diethyl (3-chloroallyl)phosphonate
CID 86010
(E)-1-chloro-3-diethoxyphosphorylprop-1-ene
CID 6537956
1-(2-Chloropropoxy)-2,5-dihydro-1lambda5-phosphole 1-oxide
CID 20317637
3-[Bis(2-chloroethoxy)phosphoryl]prop-1-ene
CID 21442637
3-Chloro-1-diethoxyphosphorylprop-1-ene
CID 53660557
2-Chloroethoxy-oxo-prop-2-enylphosphanium
CID 53785277
3-[2-Chloroethoxy(ethyl)phosphoryl]prop-1-ene
CID 54213141
2-Chloro-1-[ethyl(prop-2-enyl)phosphoryl]oxypropane
CID 54542357
2-Chloroethoxy-oxo-pent-4-enylphosphanium
CID 88762016
3-Chloro-3-[1-chloroprop-2-enyl(ethenoxy)phosphoryl]prop-1-ene
CID 88814377
3-Chloro-3-[1-chloroprop-2-enyl(ethenyl)phosphoryl]oxyprop-1-ene
CID 88814378

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethoxy)-2,5-dihydro-1λ5-phosphole 1-oxide?
The IUPAC name of 1-(2-chloroethoxy)-2,5-dihydro-1λ5-phosphole 1-oxide (CID 23270737) is 1-(2-chloroethoxy)-2,5-dihydro-1λ5-phosphole 1-oxide.
What is the SMILES notation for 1-(2-chloroethoxy)-2,5-dihydro-1λ5-phosphole 1-oxide?
The canonical SMILES for 1-(2-chloroethoxy)-2,5-dihydro-1λ5-phosphole 1-oxide is O=P1(OCCCl)CC=CC1.
What is the InChIKey of 1-(2-chloroethoxy)-2,5-dihydro-1λ5-phosphole 1-oxide?
The InChIKey is ACRYLIHGFUNZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClO2P/c7-3-4-9-10(8)5-1-2-6-10/h1-2H,3-6H2.
What are the key properties of 1-(2-chloroethoxy)-2,5-dihydro-1λ5-phosphole 1-oxide?
1-(2-chloroethoxy)-2,5-dihydro-1λ5-phosphole 1-oxide has a molecular weight of 180.57 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethoxy)-2,5-dihydro-1λ5-phosphole 1-oxide is sourced from PubChem (CID 23270737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).