oxo-bis[(E)-2-phenylethenoxy]phosphanium

C16H14O3P+ — CID 18676604

IUPACoxo-bis[(E)-2-phenylethenoxy]phosphanium
SMILESO=[P+](O/C=C/c1ccccc1)O/C=C/c1ccccc1
InChIInChI=1S/C16H14O3P/c17-20(18-13-11-15-7-3-1-4-8-15)19-14-12-16-9-5-2-6-10-16/h1-14H/q+1/b13-11+,14-12+
InChIKeyMRORHZCPKGCPJT-PHEQNACWSA-N
MW285.26 g/mol
LogP5.02
Rot. Bonds6

About oxo-bis[(E)-2-phenylethenoxy]phosphanium

oxo-bis[(E)-2-phenylethenoxy]phosphanium (PubChem CID 18676604) has the molecular formula C16H14O3P+ and a molecular weight of 285.26 g/mol. Its IUPAC name is oxo-bis[(E)-2-phenylethenoxy]phosphanium.

Molecular Properties

Compound Nameoxo-bis[(E)-2-phenylethenoxy]phosphanium
PubChem CID18676604
Molecular FormulaC16H14O3P+
Molecular Weight285.26 g/mol
Exact Mass285.07
IUPAC Nameoxo-bis[(E)-2-phenylethenoxy]phosphanium
SMILESO=[P+](O/C=C/c1ccccc1)O/C=C/c1ccccc1
InChIInChI=1S/C16H14O3P/c17-20(18-13-11-15-7-3-1-4-8-15)19-14-12-16-9-5-2-6-10-16/h1-14H/q+1/b13-11+,14-12+
InChIKeyMRORHZCPKGCPJT-PHEQNACWSA-N
XLogP5.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.26
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

oxo-bis(2-phenylethenoxy)phosphanium
CID 57163740
2-phenylethenyl hypochlorite
CID 174846966
2-phenylethenyl 3-phenylprop-2-enoate
CID 56982570
2-O-amino 1-O-(2-phenylethenyl) oxalate
CID 174927397
3-oxo-3-(2-phenylethenoxy)propanoic acid
CID 89421619
2-phenylethenyl propanoate
CID 15502186
N-(2-phenylethenoxy)formamide
CID 173336049
CID 70567885
CID 70567885
CID 70569152
CID 70569152
calcium;hydride;2-phenylethenyl prop-2-enoate
CID 174470011
2-phenylethenyl 3-hydroxypropanoate
CID 174401435
CID 154707954
CID 154707954

Frequently Asked Questions

What is the IUPAC name of oxo-bis[(E)-2-phenylethenoxy]phosphanium?
The IUPAC name of oxo-bis[(E)-2-phenylethenoxy]phosphanium (CID 18676604) is oxo-bis[(E)-2-phenylethenoxy]phosphanium.
What is the SMILES notation for oxo-bis[(E)-2-phenylethenoxy]phosphanium?
The canonical SMILES for oxo-bis[(E)-2-phenylethenoxy]phosphanium is O=[P+](O/C=C/c1ccccc1)O/C=C/c1ccccc1.
What is the InChIKey of oxo-bis[(E)-2-phenylethenoxy]phosphanium?
The InChIKey is MRORHZCPKGCPJT-PHEQNACWSA-N. The full InChI is InChI=1S/C16H14O3P/c17-20(18-13-11-15-7-3-1-4-8-15)19-14-12-16-9-5-2-6-10-16/h1-14H/q+1/b13-11+,14-12+.
What are the key properties of oxo-bis[(E)-2-phenylethenoxy]phosphanium?
oxo-bis[(E)-2-phenylethenoxy]phosphanium has a molecular weight of 285.26 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-bis[(E)-2-phenylethenoxy]phosphanium is sourced from PubChem (CID 18676604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).