hydroxy-[3-(2-methylprop-2-enoyloxy)-3,3-diphenylpropoxy]-oxophosphanium

C19H20O5P+ — CID 172837062

IUPAChydroxy-[3-(2-methylprop-2-enoyloxy)-3,3-diphenylpropoxy]-oxophosphanium
SMILESC=C(C)C(=O)OC(CCO[P+](=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19O5P/c1-15(2)18(20)24-19(13-14-23-25(21)22,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12H,1,13-14H2,2H3/p+1
InChIKeyOIKUAXQSRHKFRJ-UHFFFAOYSA-O
MW359.34 g/mol
LogP4.11
Rot. Bonds8

About hydroxy-[3-(2-methylprop-2-enoyloxy)-3,3-diphenylpropoxy]-oxophosphanium

hydroxy-[3-(2-methylprop-2-enoyloxy)-3,3-diphenylpropoxy]-oxophosphanium (PubChem CID 172837062) has the molecular formula C19H20O5P+ and a molecular weight of 359.34 g/mol. Its IUPAC name is hydroxy-[3-(2-methylprop-2-enoyloxy)-3,3-diphenylpropoxy]-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[3-(2-methylprop-2-enoyloxy)-3,3-diphenylpropoxy]-oxophosphanium
PubChem CID172837062
Molecular FormulaC19H20O5P+
Molecular Weight359.34 g/mol
Exact Mass359.10
IUPAC Namehydroxy-[3-(2-methylprop-2-enoyloxy)-3,3-diphenylpropoxy]-oxophosphanium
SMILESC=C(C)C(=O)OC(CCO[P+](=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19O5P/c1-15(2)18(20)24-19(13-14-23-25(21)22,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12H,1,13-14H2,2H3/p+1
InChIKeyOIKUAXQSRHKFRJ-UHFFFAOYSA-O
XLogP4.11
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

hydroxy-[5-(2-methylprop-2-enoyloxy)-5,5-diphenylpentoxy]-oxophosphanium
CID 172717545
[2-[2-(2-methylprop-2-enoyloxy)-2,2-diphenylethoxy]-1,1-diphenylethyl] 2-methylprop-2-enoate
CID 174279576
acetic acid;trityl 2-methylprop-2-enoate
CID 174941434
2-methylprop-2-enoic acid;trityl 2-methylprop-2-enoate
CID 157298221
[6-ethyl-6-(2-methylprop-2-enoyloxy)octoxy]-hydroxy-oxophosphanium
CID 172679246
[2-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yloxy]butan-2-yl] 2-methylprop-2-enoate
CID 138631455
ethane;isocyanic acid;trityl 2-methylprop-2-enoate
CID 174509512
(2-methyl-1,3-diphenylpropan-2-yl) 2-methylprop-2-enoate
CID 175308811
(2-hydroxy-2-phenylpropyl) 2-methylprop-2-enoate
CID 122518351
2-hydroxypropane-1,2,3-tricarboxylic acid;trityl 2-methylprop-2-enoate
CID 159239644
[3-methyl-2-(2-methylprop-2-enoyloxymethyl)-2-phenylbutyl] 2-methylprop-2-enoate
CID 22918054
[1-(4-hydroxyphenyl)-2-phenylpropan-2-yl] 2-methylprop-2-enoate
CID 145284155

Frequently Asked Questions

What is the IUPAC name of hydroxy-[3-(2-methylprop-2-enoyloxy)-3,3-diphenylpropoxy]-oxophosphanium?
The IUPAC name of hydroxy-[3-(2-methylprop-2-enoyloxy)-3,3-diphenylpropoxy]-oxophosphanium (CID 172837062) is hydroxy-[3-(2-methylprop-2-enoyloxy)-3,3-diphenylpropoxy]-oxophosphanium.
What is the SMILES notation for hydroxy-[3-(2-methylprop-2-enoyloxy)-3,3-diphenylpropoxy]-oxophosphanium?
The canonical SMILES for hydroxy-[3-(2-methylprop-2-enoyloxy)-3,3-diphenylpropoxy]-oxophosphanium is C=C(C)C(=O)OC(CCO[P+](=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of hydroxy-[3-(2-methylprop-2-enoyloxy)-3,3-diphenylpropoxy]-oxophosphanium?
The InChIKey is OIKUAXQSRHKFRJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H19O5P/c1-15(2)18(20)24-19(13-14-23-25(21)22,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12H,1,13-14H2,2H3/p+1.
What are the key properties of hydroxy-[3-(2-methylprop-2-enoyloxy)-3,3-diphenylpropoxy]-oxophosphanium?
hydroxy-[3-(2-methylprop-2-enoyloxy)-3,3-diphenylpropoxy]-oxophosphanium has a molecular weight of 359.34 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[3-(2-methylprop-2-enoyloxy)-3,3-diphenylpropoxy]-oxophosphanium is sourced from PubChem (CID 172837062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).