3-chlorobuta-1,3-dien-2-yl-hydroxy-oxophosphanium

C4H5ClO2P+ — CID 14978745

IUPAC3-chlorobuta-1,3-dien-2-yl-hydroxy-oxophosphanium
SMILESC=C(Cl)C(=C)[P+](=O)O
InChIInChI=1S/C4H4ClO2P/c1-3(5)4(2)8(6)7/h1-2H2/p+1
InChIKeyJQXXZETWPJIHPT-UHFFFAOYSA-O
MW151.51 g/mol
LogP1.99
Rot. Bonds2

About 3-chlorobuta-1,3-dien-2-yl-hydroxy-oxophosphanium

3-chlorobuta-1,3-dien-2-yl-hydroxy-oxophosphanium (PubChem CID 14978745) has the molecular formula C4H5ClO2P+ and a molecular weight of 151.51 g/mol. Its IUPAC name is 3-chlorobuta-1,3-dien-2-yl-hydroxy-oxophosphanium.

Molecular Properties

Compound Name3-chlorobuta-1,3-dien-2-yl-hydroxy-oxophosphanium
PubChem CID14978745
Molecular FormulaC4H5ClO2P+
Molecular Weight151.51 g/mol
Exact Mass150.97
IUPAC Name3-chlorobuta-1,3-dien-2-yl-hydroxy-oxophosphanium
SMILESC=C(Cl)C(=C)[P+](=O)O
InChIInChI=1S/C4H4ClO2P/c1-3(5)4(2)8(6)7/h1-2H2/p+1
InChIKeyJQXXZETWPJIHPT-UHFFFAOYSA-O
XLogP1.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.51
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(dihydroxy(oxo)phosphanium);ethene
CID 157056745
carbonochloridic acid;dihydroxy(oxo)phosphanium
CID 87488779
dihydroxy(methylidene)phosphanium
CID 59211327
2-chloroprop-2-enoic acid;gallane
CID 173230752
bis(2-chloroprop-2-enoate);iron(2+)
CID 19736162
2-chloroprop-2-enoic acid;rutherfordium;yttrium
CID 58856303
cadmium(2+);bis(2-chloroprop-2-enoate)
CID 22604256
2-bromo-3-chlorobuta-1,3-diene
CID 12636267
tris(dihydroxy(oxo)phosphanium);propane
CID 159543377
1,1-dichloroethene;ethene
CID 23453294
dihydroxy(oxo)phosphanium;samarium
CID 161079463
bis(dihydroxy(oxo)phosphanium);technetium-99
CID 6328361

Frequently Asked Questions

What is the IUPAC name of 3-chlorobuta-1,3-dien-2-yl-hydroxy-oxophosphanium?
The IUPAC name of 3-chlorobuta-1,3-dien-2-yl-hydroxy-oxophosphanium (CID 14978745) is 3-chlorobuta-1,3-dien-2-yl-hydroxy-oxophosphanium.
What is the SMILES notation for 3-chlorobuta-1,3-dien-2-yl-hydroxy-oxophosphanium?
The canonical SMILES for 3-chlorobuta-1,3-dien-2-yl-hydroxy-oxophosphanium is C=C(Cl)C(=C)[P+](=O)O.
What is the InChIKey of 3-chlorobuta-1,3-dien-2-yl-hydroxy-oxophosphanium?
The InChIKey is JQXXZETWPJIHPT-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H4ClO2P/c1-3(5)4(2)8(6)7/h1-2H2/p+1.
What are the key properties of 3-chlorobuta-1,3-dien-2-yl-hydroxy-oxophosphanium?
3-chlorobuta-1,3-dien-2-yl-hydroxy-oxophosphanium has a molecular weight of 151.51 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorobuta-1,3-dien-2-yl-hydroxy-oxophosphanium is sourced from PubChem (CID 14978745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).