[(Z)-2-methoxy-1-methylselanyl-2-phenylethenyl]-triphenylphosphanium

C28H26OPSe+ — CID 23267115

IUPAC[(Z)-2-methoxy-1-methylselanyl-2-phenylethenyl]-triphenylphosphanium
SMILESCO/C(=C(\[Se]C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H26OPSe/c1-29-27(23-15-7-3-8-16-23)28(31-2)30(24-17-9-4-10-18-24,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22H,1-2H3/q+1/b28-27-
InChIKeyXRAVLWPNMFDTPW-DQSJHHFOSA-N
MW488.45 g/mol
LogP5.71
Rot. Bonds7

About [(Z)-2-methoxy-1-methylselanyl-2-phenylethenyl]-triphenylphosphanium

[(Z)-2-methoxy-1-methylselanyl-2-phenylethenyl]-triphenylphosphanium (PubChem CID 23267115) has the molecular formula C28H26OPSe+ and a molecular weight of 488.45 g/mol. Its IUPAC name is [(Z)-2-methoxy-1-methylselanyl-2-phenylethenyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(Z)-2-methoxy-1-methylselanyl-2-phenylethenyl]-triphenylphosphanium
PubChem CID23267115
Molecular FormulaC28H26OPSe+
Molecular Weight488.45 g/mol
Exact Mass489.09
IUPAC Name[(Z)-2-methoxy-1-methylselanyl-2-phenylethenyl]-triphenylphosphanium
SMILESCO/C(=C(\[Se]C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H26OPSe/c1-29-27(23-15-7-3-8-16-23)28(31-2)30(24-17-9-4-10-18-24,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22H,1-2H3/q+1/b28-27-
InChIKeyXRAVLWPNMFDTPW-DQSJHHFOSA-N
XLogP5.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.45
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-2,3-diphenylprop-2-enoic acid
CID 69030930
4-(1,2-dimethoxy-2-phenylethenyl)phenol
CID 91321560
CID 157228504
CID 157228504
3-methoxy-2-methyl-3-phenylprop-2-enoic acid
CID 57324055
[(Z)-1-dimethylselaniumyl-2-ethoxy-2-phenylethenyl]-triphenylphosphanium
CID 23268007
3-methoxy-2,3-diphenylprop-2-enal
CID 76537180
(E)-3-methoxy-2-methyl-1,3-diphenylprop-2-en-1-one
CID 101099005
(4-methoxycarbonylphenyl)-triphenylphosphanium
CID 19810472
[(E)-2-(methylamino)-1-phenylprop-1-enyl]-triphenylphosphanium
CID 10392962
(Z)-2-iodo-3-methoxy-1,3-diphenylprop-2-en-1-one
CID 102130770
methyl benzoate;hydrate
CID 141218240
(4-methoxycarbonylphenyl)-methyl-diphenylphosphanium
CID 19831324

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-methoxy-1-methylselanyl-2-phenylethenyl]-triphenylphosphanium?
The IUPAC name of [(Z)-2-methoxy-1-methylselanyl-2-phenylethenyl]-triphenylphosphanium (CID 23267115) is [(Z)-2-methoxy-1-methylselanyl-2-phenylethenyl]-triphenylphosphanium.
What is the SMILES notation for [(Z)-2-methoxy-1-methylselanyl-2-phenylethenyl]-triphenylphosphanium?
The canonical SMILES for [(Z)-2-methoxy-1-methylselanyl-2-phenylethenyl]-triphenylphosphanium is CO/C(=C(\[Se]C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-2-methoxy-1-methylselanyl-2-phenylethenyl]-triphenylphosphanium?
The InChIKey is XRAVLWPNMFDTPW-DQSJHHFOSA-N. The full InChI is InChI=1S/C28H26OPSe/c1-29-27(23-15-7-3-8-16-23)28(31-2)30(24-17-9-4-10-18-24,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22H,1-2H3/q+1/b28-27-.
What are the key properties of [(Z)-2-methoxy-1-methylselanyl-2-phenylethenyl]-triphenylphosphanium?
[(Z)-2-methoxy-1-methylselanyl-2-phenylethenyl]-triphenylphosphanium has a molecular weight of 488.45 g/mol, XLogP of 5.71, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-methoxy-1-methylselanyl-2-phenylethenyl]-triphenylphosphanium is sourced from PubChem (CID 23267115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).