2-methoxycarbonylprop-2-enyl(triphenyl)phosphanium

C23H22O2P+ — CID 58085087

IUPAC2-methoxycarbonylprop-2-enyl(triphenyl)phosphanium
SMILESC=C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC
InChIInChI=1S/C23H22O2P/c1-19(23(24)25-2)18-26(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17H,1,18H2,2H3/q+1
InChIKeyBGDLVEJQKBPUHU-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.71
Rot. Bonds6

About 2-methoxycarbonylprop-2-enyl(triphenyl)phosphanium

2-methoxycarbonylprop-2-enyl(triphenyl)phosphanium (PubChem CID 58085087) has the molecular formula C23H22O2P+ and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-methoxycarbonylprop-2-enyl(triphenyl)phosphanium.

Molecular Properties

Compound Name2-methoxycarbonylprop-2-enyl(triphenyl)phosphanium
PubChem CID58085087
Molecular FormulaC23H22O2P+
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name2-methoxycarbonylprop-2-enyl(triphenyl)phosphanium
SMILESC=C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC
InChIInChI=1S/C23H22O2P/c1-19(23(24)25-2)18-26(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17H,1,18H2,2H3/q+1
InChIKeyBGDLVEJQKBPUHU-UHFFFAOYSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

tris(carboxymethyl(triphenyl)phosphanium);ruthenium
CID 154640778
methyl 2-benzylprop-2-enoate
CID 575761
2-hydroxyprop-2-enyl(triphenyl)phosphanium
CID 87987805
[2-(methoxymethoxy)-2-oxoethyl]-triphenylphosphanium
CID 23119083
(2-oxo-3-triphenylphosphaniumylpropyl)-triphenylphosphanium;dihydrobromide
CID 126957206
methyl 2-methylidene-4-phenyl-4-phenylmethoxybutanoate
CID 10946388
(3-methoxy-3-oxopropyl)-triphenylphosphanium
CID 6332300
methyl 2-benzylprop-2-enoate;methyl 3,3-dimethyl-2-methylidenebutanoate
CID 174801501
(3-ethoxy-2,3-dioxopropyl)-triphenylphosphanium bromide
CID 2773638
methyl 2-benzhydrylprop-2-enoate
CID 67016942
methyl (4R,5S)-4-hydroxy-2-methylidene-5-(phenylmethoxycarbonylamino)hexanoate
CID 10804650
[(Z)-2-methoxycarbonyl-3-phenylprop-2-enyl]-tris(4-methoxyphenyl)phosphanium
CID 164609229

Frequently Asked Questions

What is the IUPAC name of 2-methoxycarbonylprop-2-enyl(triphenyl)phosphanium?
The IUPAC name of 2-methoxycarbonylprop-2-enyl(triphenyl)phosphanium (CID 58085087) is 2-methoxycarbonylprop-2-enyl(triphenyl)phosphanium.
What is the SMILES notation for 2-methoxycarbonylprop-2-enyl(triphenyl)phosphanium?
The canonical SMILES for 2-methoxycarbonylprop-2-enyl(triphenyl)phosphanium is C=C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC.
What is the InChIKey of 2-methoxycarbonylprop-2-enyl(triphenyl)phosphanium?
The InChIKey is BGDLVEJQKBPUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O2P/c1-19(23(24)25-2)18-26(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17H,1,18H2,2H3/q+1.
What are the key properties of 2-methoxycarbonylprop-2-enyl(triphenyl)phosphanium?
2-methoxycarbonylprop-2-enyl(triphenyl)phosphanium has a molecular weight of 361.40 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxycarbonylprop-2-enyl(triphenyl)phosphanium is sourced from PubChem (CID 58085087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).