ethyl (E)-3-(3-chlorophenyl)-2-phenylselanylprop-2-enoate

C17H15ClO2Se — CID 6110099

IUPACethyl (E)-3-(3-chlorophenyl)-2-phenylselanylprop-2-enoate
SMILESCCOC(=O)/C(=C\c1cccc(Cl)c1)[Se]c1ccccc1
InChIInChI=1S/C17H15ClO2Se/c1-2-20-17(19)16(21-15-9-4-3-5-10-15)12-13-7-6-8-14(18)11-13/h3-12H,2H2,1H3/b16-12+
InChIKeyLZCZRZKJGPJZPD-FOWTUZBSSA-N
MW365.72 g/mol
LogP3.27
Rot. Bonds5

About ethyl (E)-3-(3-chlorophenyl)-2-phenylselanylprop-2-enoate

ethyl (E)-3-(3-chlorophenyl)-2-phenylselanylprop-2-enoate (PubChem CID 6110099) has the molecular formula C17H15ClO2Se and a molecular weight of 365.72 g/mol. Its IUPAC name is ethyl (E)-3-(3-chlorophenyl)-2-phenylselanylprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(3-chlorophenyl)-2-phenylselanylprop-2-enoate
PubChem CID6110099
Molecular FormulaC17H15ClO2Se
Molecular Weight365.72 g/mol
Exact Mass365.99
IUPAC Nameethyl (E)-3-(3-chlorophenyl)-2-phenylselanylprop-2-enoate
SMILESCCOC(=O)/C(=C\c1cccc(Cl)c1)[Se]c1ccccc1
InChIInChI=1S/C17H15ClO2Se/c1-2-20-17(19)16(21-15-9-4-3-5-10-15)12-13-7-6-8-14(18)11-13/h3-12H,2H2,1H3/b16-12+
InChIKeyLZCZRZKJGPJZPD-FOWTUZBSSA-N
XLogP3.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.72
LogP ≤ 53.27
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

ethyl (E)-3-(4-methoxyphenyl)-2-phenylselanylprop-2-enoate
CID 6375627
4-(3-chlorophenyl)-3-ethoxycarbonylbut-3-enoic acid
CID 139765791
ethyl (Z)-2-(bromomethyl)-3-(3-chlorophenyl)prop-2-enoate
CID 14812496
ethyl (E)-2-phenylselanylhex-2-enoate
CID 12631119
ethyl (E,2Z)-4-benzyl-2-benzylidene-5-(3-chlorophenyl)-3-methylidenepent-4-enoate
CID 135035028
methyl (E)-3-(3-chlorophenyl)-2-phenylprop-2-enoate
CID 25192532
diethyl 2-[(3-chlorophenyl)-phenylmethylidene]propanedioate
CID 11462500
ethyl 4-(3-chlorophenyl)but-3-enoate
CID 170795542
(Z)-2-ethoxycarbonyl-3-phenylprop-2-enoic acid
CID 643851
ethyl (Z)-3-[2-(3-chloro-N-methylanilino)phenyl]-2-hydroxyprop-2-enoate
CID 102049965
chlorobenzene;diethyl 2-methylidenepropanedioate
CID 174760739
ethyl 2-methylsulfanyl-3-phenylprop-2-enoate
CID 71381071

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(3-chlorophenyl)-2-phenylselanylprop-2-enoate?
The IUPAC name of ethyl (E)-3-(3-chlorophenyl)-2-phenylselanylprop-2-enoate (CID 6110099) is ethyl (E)-3-(3-chlorophenyl)-2-phenylselanylprop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(3-chlorophenyl)-2-phenylselanylprop-2-enoate?
The canonical SMILES for ethyl (E)-3-(3-chlorophenyl)-2-phenylselanylprop-2-enoate is CCOC(=O)/C(=C\c1cccc(Cl)c1)[Se]c1ccccc1.
What is the InChIKey of ethyl (E)-3-(3-chlorophenyl)-2-phenylselanylprop-2-enoate?
The InChIKey is LZCZRZKJGPJZPD-FOWTUZBSSA-N. The full InChI is InChI=1S/C17H15ClO2Se/c1-2-20-17(19)16(21-15-9-4-3-5-10-15)12-13-7-6-8-14(18)11-13/h3-12H,2H2,1H3/b16-12+.
What are the key properties of ethyl (E)-3-(3-chlorophenyl)-2-phenylselanylprop-2-enoate?
ethyl (E)-3-(3-chlorophenyl)-2-phenylselanylprop-2-enoate has a molecular weight of 365.72 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(3-chlorophenyl)-2-phenylselanylprop-2-enoate is sourced from PubChem (CID 6110099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).