oxo-bis[2-(2-prop-2-enoyloxyethyl)phenoxy]phosphanium

C22H22O7P+ — CID 23219499

IUPACoxo-bis[2-(2-prop-2-enoyloxyethyl)phenoxy]phosphanium
SMILESC=CC(=O)OCCc1ccccc1O[P+](=O)Oc1ccccc1CCOC(=O)C=C
InChIInChI=1S/C22H22O7P/c1-3-21(23)26-15-13-17-9-5-7-11-19(17)28-30(25)29-20-12-8-6-10-18(20)14-16-27-22(24)4-2/h3-12H,1-2,13-16H2/q+1
InChIKeyNSLONQWGQMZPBE-UHFFFAOYSA-N
MW429.39 g/mol
LogP4.35
Rot. Bonds12

About oxo-bis[2-(2-prop-2-enoyloxyethyl)phenoxy]phosphanium

oxo-bis[2-(2-prop-2-enoyloxyethyl)phenoxy]phosphanium (PubChem CID 23219499) has the molecular formula C22H22O7P+ and a molecular weight of 429.39 g/mol. Its IUPAC name is oxo-bis[2-(2-prop-2-enoyloxyethyl)phenoxy]phosphanium.

Molecular Properties

Compound Nameoxo-bis[2-(2-prop-2-enoyloxyethyl)phenoxy]phosphanium
PubChem CID23219499
Molecular FormulaC22H22O7P+
Molecular Weight429.39 g/mol
Exact Mass429.11
IUPAC Nameoxo-bis[2-(2-prop-2-enoyloxyethyl)phenoxy]phosphanium
SMILESC=CC(=O)OCCc1ccccc1O[P+](=O)Oc1ccccc1CCOC(=O)C=C
InChIInChI=1S/C22H22O7P/c1-3-21(23)26-15-13-17-9-5-7-11-19(17)28-30(25)29-20-12-8-6-10-18(20)14-16-27-22(24)4-2/h3-12H,1-2,13-16H2/q+1
InChIKeyNSLONQWGQMZPBE-UHFFFAOYSA-N
XLogP4.35
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.39
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)ethyl prop-2-enoate
CID 18316827
2-(2-propylphenoxy)ethyl prop-2-enoate
CID 154077444
2-(2-propan-2-ylphenyl)ethyl prop-2-enoate
CID 91061746
2-[2-(trifluoromethyl)phenyl]ethyl prop-2-enoate
CID 150969987
2-(2-nonylphenyl)ethyl prop-2-enoate
CID 67822598
dimethyl-[[2-(2-prop-2-enoyloxyethyl)phenyl]methyl]azanium chloride
CID 87166362
methyl-[[2-(2-prop-2-enoyloxyethyl)phenyl]methyl]azanium chloride
CID 141252763
2-[2-(2-aminopropan-2-yl)phenyl]ethyl prop-2-enoate;hydroiodide
CID 173064353
2-[2-(2-hydroxyethoxy)phenoxy]ethyl prop-2-enoate
CID 147852586
3-[2-(aminomethyl)phenyl]propyl prop-2-enoate
CID 174579618
2-(2-prop-2-enoyloxyethoxy)benzoic acid
CID 18974630
phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162086806

Frequently Asked Questions

What is the IUPAC name of oxo-bis[2-(2-prop-2-enoyloxyethyl)phenoxy]phosphanium?
The IUPAC name of oxo-bis[2-(2-prop-2-enoyloxyethyl)phenoxy]phosphanium (CID 23219499) is oxo-bis[2-(2-prop-2-enoyloxyethyl)phenoxy]phosphanium.
What is the SMILES notation for oxo-bis[2-(2-prop-2-enoyloxyethyl)phenoxy]phosphanium?
The canonical SMILES for oxo-bis[2-(2-prop-2-enoyloxyethyl)phenoxy]phosphanium is C=CC(=O)OCCc1ccccc1O[P+](=O)Oc1ccccc1CCOC(=O)C=C.
What is the InChIKey of oxo-bis[2-(2-prop-2-enoyloxyethyl)phenoxy]phosphanium?
The InChIKey is NSLONQWGQMZPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O7P/c1-3-21(23)26-15-13-17-9-5-7-11-19(17)28-30(25)29-20-12-8-6-10-18(20)14-16-27-22(24)4-2/h3-12H,1-2,13-16H2/q+1.
What are the key properties of oxo-bis[2-(2-prop-2-enoyloxyethyl)phenoxy]phosphanium?
oxo-bis[2-(2-prop-2-enoyloxyethyl)phenoxy]phosphanium has a molecular weight of 429.39 g/mol, XLogP of 4.35, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-bis[2-(2-prop-2-enoyloxyethyl)phenoxy]phosphanium is sourced from PubChem (CID 23219499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).