oxo-pent-2-enyl-phenylmethoxyphosphanium

C12H16O2P+ — CID 74601015

IUPACoxo-pent-2-enyl-phenylmethoxyphosphanium
SMILESCCC=CC[P+](=O)OCc1ccccc1
InChIInChI=1S/C12H16O2P/c1-2-3-7-10-15(13)14-11-12-8-5-4-6-9-12/h3-9H,2,10-11H2,1H3/q+1
InChIKeyQBNFSVLLANFFDU-UHFFFAOYSA-N
MW223.23 g/mol
LogP3.91
Rot. Bonds6

About oxo-pent-2-enyl-phenylmethoxyphosphanium

oxo-pent-2-enyl-phenylmethoxyphosphanium (PubChem CID 74601015) has the molecular formula C12H16O2P+ and a molecular weight of 223.23 g/mol. Its IUPAC name is oxo-pent-2-enyl-phenylmethoxyphosphanium.

Molecular Properties

Compound Nameoxo-pent-2-enyl-phenylmethoxyphosphanium
PubChem CID74601015
Molecular FormulaC12H16O2P+
Molecular Weight223.23 g/mol
Exact Mass223.09
IUPAC Nameoxo-pent-2-enyl-phenylmethoxyphosphanium
SMILESCCC=CC[P+](=O)OCc1ccccc1
InChIInChI=1S/C12H16O2P/c1-2-3-7-10-15(13)14-11-12-8-5-4-6-9-12/h3-9H,2,10-11H2,1H3/q+1
InChIKeyQBNFSVLLANFFDU-UHFFFAOYSA-N
XLogP3.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl-oxo-phenylmethoxyphosphanium
CID 20566646
chloro-oxo-phenylmethoxyphosphanium
CID 23320599
dihydroxy(oxo)phosphanium;oxo-bis(phenylmethoxy)phosphanium
CID 159366011
disodium bis(oxido-oxo-phenylmethoxyphosphanium)
CID 171808155
bis(phenylmethoxy)phosphorylmethyl-oxo-phenylmethoxyphosphanium
CID 155609893
(E,2S,3R)-2,3-bis(phenylmethoxy)hept-4-enal
CID 102023534
oxo-(2-phenylethoxy)-phenylmethoxyphosphanium
CID 70073621
benzyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
CID 151994242
formaldehyde;methoxymethylbenzene;tungsten
CID 173357343
oxo-bis(phenylmethoxymethoxy)phosphanium
CID 68931387
(213C)ethoxymethylbenzene
CID 87947851
bis(benzylperoxy)-oxophosphanium
CID 22644121

Frequently Asked Questions

What is the IUPAC name of oxo-pent-2-enyl-phenylmethoxyphosphanium?
The IUPAC name of oxo-pent-2-enyl-phenylmethoxyphosphanium (CID 74601015) is oxo-pent-2-enyl-phenylmethoxyphosphanium.
What is the SMILES notation for oxo-pent-2-enyl-phenylmethoxyphosphanium?
The canonical SMILES for oxo-pent-2-enyl-phenylmethoxyphosphanium is CCC=CC[P+](=O)OCc1ccccc1.
What is the InChIKey of oxo-pent-2-enyl-phenylmethoxyphosphanium?
The InChIKey is QBNFSVLLANFFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2P/c1-2-3-7-10-15(13)14-11-12-8-5-4-6-9-12/h3-9H,2,10-11H2,1H3/q+1.
What are the key properties of oxo-pent-2-enyl-phenylmethoxyphosphanium?
oxo-pent-2-enyl-phenylmethoxyphosphanium has a molecular weight of 223.23 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-pent-2-enyl-phenylmethoxyphosphanium is sourced from PubChem (CID 74601015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).