4-chloro-2-ethoxy-5H-1,2λ5-oxaphosphole 2-oxide

C5H8ClO3P — CID 23262834

IUPAC4-chloro-2-ethoxy-5H-1,2λ5-oxaphosphole 2-oxide
SMILESCCOP1(=O)C=C(Cl)CO1
InChIInChI=1S/C5H8ClO3P/c1-2-8-10(7)4-5(6)3-9-10/h4H,2-3H2,1H3
InChIKeyFFAIBHNQELQSGN-UHFFFAOYSA-N
MW182.54 g/mol
LogP2.33
Rot. Bonds2

About 4-chloro-2-ethoxy-5H-1,2λ5-oxaphosphole 2-oxide

4-chloro-2-ethoxy-5H-1,2λ5-oxaphosphole 2-oxide (PubChem CID 23262834) has the molecular formula C5H8ClO3P and a molecular weight of 182.54 g/mol. Its IUPAC name is 4-chloro-2-ethoxy-5H-1,2λ5-oxaphosphole 2-oxide.

Molecular Properties

Compound Name4-chloro-2-ethoxy-5H-1,2λ5-oxaphosphole 2-oxide
PubChem CID23262834
Molecular FormulaC5H8ClO3P
Molecular Weight182.54 g/mol
Exact Mass181.99
IUPAC Name4-chloro-2-ethoxy-5H-1,2λ5-oxaphosphole 2-oxide
SMILESCCOP1(=O)C=C(Cl)CO1
InChIInChI=1S/C5H8ClO3P/c1-2-8-10(7)4-5(6)3-9-10/h4H,2-3H2,1H3
InChIKeyFFAIBHNQELQSGN-UHFFFAOYSA-N
XLogP2.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.54
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-2-ethoxy-5H-1,2λ5-oxaphosphole 2-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-Chloro-allyl)-phosphonic acid diethyl ester
CID 3614432
2-Chloro-3-[chloromethyl(2-chloroprop-2-enoxy)phosphoryl]oxyprop-1-ene
CID 9970867
4-chloro-2-ethoxy-5-methyl-5H-1,2lambda5-oxaphosphole 2-oxide
CID 12602215
4-chloro-2-ethoxy-3-methyl-5H-1,2lambda5-oxaphosphole 2-oxide
CID 23262892
2-Chloroethoxy-oxo-prop-1-en-2-ylphosphanium
CID 88638572
4-chloro-2-methoxy-5-methyl-5H-1,2lambda5-oxaphosphole 2-oxide
CID 12602214
4-Chloro-2-hydroxy-2,5-dihydro-1,2lambda~5~-oxaphosphol-2-one
CID 71386652
2-Chloroprop-2-enyl diethyl phosphate
CID 117059442

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethoxy-5H-1,2λ5-oxaphosphole 2-oxide?
The IUPAC name of 4-chloro-2-ethoxy-5H-1,2λ5-oxaphosphole 2-oxide (CID 23262834) is 4-chloro-2-ethoxy-5H-1,2λ5-oxaphosphole 2-oxide.
What is the SMILES notation for 4-chloro-2-ethoxy-5H-1,2λ5-oxaphosphole 2-oxide?
The canonical SMILES for 4-chloro-2-ethoxy-5H-1,2λ5-oxaphosphole 2-oxide is CCOP1(=O)C=C(Cl)CO1.
What is the InChIKey of 4-chloro-2-ethoxy-5H-1,2λ5-oxaphosphole 2-oxide?
The InChIKey is FFAIBHNQELQSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClO3P/c1-2-8-10(7)4-5(6)3-9-10/h4H,2-3H2,1H3.
What are the key properties of 4-chloro-2-ethoxy-5H-1,2λ5-oxaphosphole 2-oxide?
4-chloro-2-ethoxy-5H-1,2λ5-oxaphosphole 2-oxide has a molecular weight of 182.54 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethoxy-5H-1,2λ5-oxaphosphole 2-oxide is sourced from PubChem (CID 23262834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).