(Z)-1-(4-methoxyphenyl)-3-phenyl-3-phenylselanylprop-2-en-1-one

C22H18O2Se — CID 15851628

IUPAC(Z)-1-(4-methoxyphenyl)-3-phenyl-3-phenylselanylprop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C(\[Se]c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H18O2Se/c1-24-19-14-12-17(13-15-19)21(23)16-22(18-8-4-2-5-9-18)25-20-10-6-3-7-11-20/h2-16H,1H3/b22-16-
InChIKeyULCAEPMHUKUNRQ-JWGURIENSA-N
MW393.34 g/mol
LogP3.95
Rot. Bonds6

About (Z)-1-(4-methoxyphenyl)-3-phenyl-3-phenylselanylprop-2-en-1-one

(Z)-1-(4-methoxyphenyl)-3-phenyl-3-phenylselanylprop-2-en-1-one (PubChem CID 15851628) has the molecular formula C22H18O2Se and a molecular weight of 393.34 g/mol. Its IUPAC name is (Z)-1-(4-methoxyphenyl)-3-phenyl-3-phenylselanylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(4-methoxyphenyl)-3-phenyl-3-phenylselanylprop-2-en-1-one
PubChem CID15851628
Molecular FormulaC22H18O2Se
Molecular Weight393.34 g/mol
Exact Mass394.05
IUPAC Name(Z)-1-(4-methoxyphenyl)-3-phenyl-3-phenylselanylprop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C(\[Se]c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H18O2Se/c1-24-19-14-12-17(13-15-19)21(23)16-22(18-8-4-2-5-9-18)25-20-10-6-3-7-11-20/h2-16H,1H3/b22-16-
InChIKeyULCAEPMHUKUNRQ-JWGURIENSA-N
XLogP3.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.34
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(4-methoxyphenyl)-3-phenylselanylprop-2-enoic acid
CID 12615337
(E)-4-phenyl-4-phenylselanylbut-3-en-2-one
CID 53355316
1-methoxy-4-[(E)-2-phenyl-1,2-bis(phenylselanyl)ethenyl]benzene
CID 71551226
(E)-3-(4-methoxyphenyl)-1-phenylpent-2-en-1-one
CID 135075979
(Z)-4,4,4-trifluoro-1-(4-methoxyphenyl)-3-phenylbut-2-en-1-one
CID 102451178
(Z)-3-(4-methoxyphenyl)selanyl-3-phenylprop-2-enenitrile
CID 10519304
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
3,3-dibromo-1-(4-methoxyphenyl)prop-2-en-1-one
CID 135039822
(3-oxo-3-phenylprop-1-enyl) 4-methoxybenzoate
CID 2825584
3-(4-methoxyanilino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 4672353
(E)-2-(N-hydroxy-4-methoxyanilino)-1,4-diphenylbut-2-ene-1,4-dione
CID 177386249
2-(4-methoxyanilino)-1,4-diphenylbut-2-ene-1,4-dione
CID 619819

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-methoxyphenyl)-3-phenyl-3-phenylselanylprop-2-en-1-one?
The IUPAC name of (Z)-1-(4-methoxyphenyl)-3-phenyl-3-phenylselanylprop-2-en-1-one (CID 15851628) is (Z)-1-(4-methoxyphenyl)-3-phenyl-3-phenylselanylprop-2-en-1-one.
What is the SMILES notation for (Z)-1-(4-methoxyphenyl)-3-phenyl-3-phenylselanylprop-2-en-1-one?
The canonical SMILES for (Z)-1-(4-methoxyphenyl)-3-phenyl-3-phenylselanylprop-2-en-1-one is COc1ccc(C(=O)/C=C(\[Se]c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (Z)-1-(4-methoxyphenyl)-3-phenyl-3-phenylselanylprop-2-en-1-one?
The InChIKey is ULCAEPMHUKUNRQ-JWGURIENSA-N. The full InChI is InChI=1S/C22H18O2Se/c1-24-19-14-12-17(13-15-19)21(23)16-22(18-8-4-2-5-9-18)25-20-10-6-3-7-11-20/h2-16H,1H3/b22-16-.
What are the key properties of (Z)-1-(4-methoxyphenyl)-3-phenyl-3-phenylselanylprop-2-en-1-one?
(Z)-1-(4-methoxyphenyl)-3-phenyl-3-phenylselanylprop-2-en-1-one has a molecular weight of 393.34 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-methoxyphenyl)-3-phenyl-3-phenylselanylprop-2-en-1-one is sourced from PubChem (CID 15851628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).