[(Z)-2-methoxycarbonyl-3-phenylprop-2-enyl]-tris(4-methoxyphenyl)phosphanium

C32H32O5P+ — CID 164609229

IUPAC[(Z)-2-methoxycarbonyl-3-phenylprop-2-enyl]-tris(4-methoxyphenyl)phosphanium
SMILESCOC(=O)/C(=C/c1ccccc1)C[P+](c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C32H32O5P/c1-34-26-10-16-29(17-11-26)38(30-18-12-27(35-2)13-19-30,31-20-14-28(36-3)15-21-31)23-25(32(33)37-4)22-24-8-6-5-7-9-24/h5-22H,23H2,1-4H3/q+1/b25-22+
InChIKeyGRFHHYWFUAYHPH-YYDJUVGSSA-N
MW527.58 g/mol
LogP5.26
Rot. Bonds10

About [(Z)-2-methoxycarbonyl-3-phenylprop-2-enyl]-tris(4-methoxyphenyl)phosphanium

[(Z)-2-methoxycarbonyl-3-phenylprop-2-enyl]-tris(4-methoxyphenyl)phosphanium (PubChem CID 164609229) has the molecular formula C32H32O5P+ and a molecular weight of 527.58 g/mol. Its IUPAC name is [(Z)-2-methoxycarbonyl-3-phenylprop-2-enyl]-tris(4-methoxyphenyl)phosphanium.

Molecular Properties

Compound Name[(Z)-2-methoxycarbonyl-3-phenylprop-2-enyl]-tris(4-methoxyphenyl)phosphanium
PubChem CID164609229
Molecular FormulaC32H32O5P+
Molecular Weight527.58 g/mol
Exact Mass527.20
IUPAC Name[(Z)-2-methoxycarbonyl-3-phenylprop-2-enyl]-tris(4-methoxyphenyl)phosphanium
SMILESCOC(=O)/C(=C/c1ccccc1)C[P+](c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C32H32O5P/c1-34-26-10-16-29(17-11-26)38(30-18-12-27(35-2)13-19-30,31-20-14-28(36-3)15-21-31)23-25(32(33)37-4)22-24-8-6-5-7-9-24/h5-22H,23H2,1-4H3/q+1/b25-22+
InChIKeyGRFHHYWFUAYHPH-YYDJUVGSSA-N
XLogP5.26
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.58
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

methyl (2E)-2-[(4-methoxyphenyl)methylidene]-4-oxopentanoate
CID 16664758
methyl (Z)-3-phenyl-2-(sulfanylmethyl)prop-2-enoate
CID 42598055
dimethyl 2-benzylidenebutanedioate
CID 4688794
methyl (E)-3-phenyl-2-[(propan-2-ylamino)methyl]prop-2-enoate
CID 10513819
methyl (2Z)-2-benzylidene-4-methoxybutanoate
CID 122641210
methyl (E)-2-[(methoxycarbonylamino)methyl]-3-(4-methoxyphenyl)prop-2-enoate
CID 102356904
methyl (Z)-3-(4-methoxyphenyl)-2-(trifluoromethylsulfanylmethyl)prop-2-enoate
CID 138974440
(3E,5Z)-3-methoxycarbonyl-6-(4-methoxyphenyl)-5-phenylhexa-3,5-dienoic acid
CID 15352566
(3Z,5E)-3-methoxycarbonyl-6-(4-methoxyphenyl)-5-phenylhexa-3,5-dienoic acid
CID 10689320
trifluoro-[(Z)-2-methoxycarbonyl-3-phenylprop-2-enyl]boranuide
CID 102173037
methyl (E)-2-(acetyloxymethyl)-3-phenylprop-2-enoate
CID 10889836
methyl (Z)-3-phenyl-2-(propylsulfanylmethyl)prop-2-enoate
CID 139256365

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-methoxycarbonyl-3-phenylprop-2-enyl]-tris(4-methoxyphenyl)phosphanium?
The IUPAC name of [(Z)-2-methoxycarbonyl-3-phenylprop-2-enyl]-tris(4-methoxyphenyl)phosphanium (CID 164609229) is [(Z)-2-methoxycarbonyl-3-phenylprop-2-enyl]-tris(4-methoxyphenyl)phosphanium.
What is the SMILES notation for [(Z)-2-methoxycarbonyl-3-phenylprop-2-enyl]-tris(4-methoxyphenyl)phosphanium?
The canonical SMILES for [(Z)-2-methoxycarbonyl-3-phenylprop-2-enyl]-tris(4-methoxyphenyl)phosphanium is COC(=O)/C(=C/c1ccccc1)C[P+](c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of [(Z)-2-methoxycarbonyl-3-phenylprop-2-enyl]-tris(4-methoxyphenyl)phosphanium?
The InChIKey is GRFHHYWFUAYHPH-YYDJUVGSSA-N. The full InChI is InChI=1S/C32H32O5P/c1-34-26-10-16-29(17-11-26)38(30-18-12-27(35-2)13-19-30,31-20-14-28(36-3)15-21-31)23-25(32(33)37-4)22-24-8-6-5-7-9-24/h5-22H,23H2,1-4H3/q+1/b25-22+.
What are the key properties of [(Z)-2-methoxycarbonyl-3-phenylprop-2-enyl]-tris(4-methoxyphenyl)phosphanium?
[(Z)-2-methoxycarbonyl-3-phenylprop-2-enyl]-tris(4-methoxyphenyl)phosphanium has a molecular weight of 527.58 g/mol, XLogP of 5.26, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-methoxycarbonyl-3-phenylprop-2-enyl]-tris(4-methoxyphenyl)phosphanium is sourced from PubChem (CID 164609229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).