ethyl (E)-3-(2-methylselanylphenyl)prop-2-enoate

C12H14O2Se — CID 134890301

IUPACethyl (E)-3-(2-methylselanylphenyl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccccc1[Se]C
InChIInChI=1S/C12H14O2Se/c1-3-14-12(13)9-8-10-6-4-5-7-11(10)15-2/h4-9H,3H2,1-2H3/b9-8+
InChIKeyWOPVLESKOYGETL-CMDGGOBGSA-N
MW269.20 g/mol
LogP1.64
Rot. Bonds4

About ethyl (E)-3-(2-methylselanylphenyl)prop-2-enoate

ethyl (E)-3-(2-methylselanylphenyl)prop-2-enoate (PubChem CID 134890301) has the molecular formula C12H14O2Se and a molecular weight of 269.20 g/mol. Its IUPAC name is ethyl (E)-3-(2-methylselanylphenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(2-methylselanylphenyl)prop-2-enoate
PubChem CID134890301
Molecular FormulaC12H14O2Se
Molecular Weight269.20 g/mol
Exact Mass270.02
IUPAC Nameethyl (E)-3-(2-methylselanylphenyl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccccc1[Se]C
InChIInChI=1S/C12H14O2Se/c1-3-14-12(13)9-8-10-6-4-5-7-11(10)15-2/h4-9H,3H2,1-2H3/b9-8+
InChIKeyWOPVLESKOYGETL-CMDGGOBGSA-N
XLogP1.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.20
LogP ≤ 51.64
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-bromo-2-methylselanylphenyl)prop-2-enoate
CID 134890329
(E)-3-[2-[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]phenyl]prop-2-enoic acid
CID 22301101
ethyl 3-(2-iodophenyl)prop-2-enoate
CID 74333106
ethyl 3-(2-aminophenyl)prop-2-enoate;hydrochloride
CID 70254002
ethyl (Z)-3-naphthalen-1-ylprop-2-enoate
CID 101030806
ethyl 3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate
CID 140807744
ethyl (E)-3-(2-butoxyphenyl)prop-2-enoate
CID 102534694
ethyl 3-[2-(2-methoxy-2-oxoethyl)phenyl]prop-2-enoate
CID 169480754
ethyl (E)-3-(2-methylselanyl-3-nitrophenyl)prop-2-enoate
CID 134890281
ethyl (E)-3-(2-methylselanyl-6-nitrophenyl)prop-2-enoate
CID 135051832
ethyl (Z)-3-[2-(3-oxobutyl)phenyl]prop-2-enoate
CID 101402562
ethyl 3-(4-aminonaphthalen-1-yl)prop-2-enoate
CID 169480916

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(2-methylselanylphenyl)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(2-methylselanylphenyl)prop-2-enoate (CID 134890301) is ethyl (E)-3-(2-methylselanylphenyl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(2-methylselanylphenyl)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(2-methylselanylphenyl)prop-2-enoate is CCOC(=O)/C=C/c1ccccc1[Se]C.
What is the InChIKey of ethyl (E)-3-(2-methylselanylphenyl)prop-2-enoate?
The InChIKey is WOPVLESKOYGETL-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H14O2Se/c1-3-14-12(13)9-8-10-6-4-5-7-11(10)15-2/h4-9H,3H2,1-2H3/b9-8+.
What are the key properties of ethyl (E)-3-(2-methylselanylphenyl)prop-2-enoate?
ethyl (E)-3-(2-methylselanylphenyl)prop-2-enoate has a molecular weight of 269.20 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(2-methylselanylphenyl)prop-2-enoate is sourced from PubChem (CID 134890301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).