methyl 2-(4-methoxyphenoxy)-2-phenylselanylacetate

C16H16O4Se — CID 15262417

IUPACmethyl 2-(4-methoxyphenoxy)-2-phenylselanylacetate
SMILESCOC(=O)C(Oc1ccc(OC)cc1)[Se]c1ccccc1
InChIInChI=1S/C16H16O4Se/c1-18-12-8-10-13(11-9-12)20-16(15(17)19-2)21-14-6-4-3-5-7-14/h3-11,16H,1-2H3
InChIKeyWRBQKNLTVZAAGG-UHFFFAOYSA-N
MW351.26 g/mol
LogP1.60
Rot. Bonds6

About methyl 2-(4-methoxyphenoxy)-2-phenylselanylacetate

methyl 2-(4-methoxyphenoxy)-2-phenylselanylacetate (PubChem CID 15262417) has the molecular formula C16H16O4Se and a molecular weight of 351.26 g/mol. Its IUPAC name is methyl 2-(4-methoxyphenoxy)-2-phenylselanylacetate.

Molecular Properties

Compound Namemethyl 2-(4-methoxyphenoxy)-2-phenylselanylacetate
PubChem CID15262417
Molecular FormulaC16H16O4Se
Molecular Weight351.26 g/mol
Exact Mass352.02
IUPAC Namemethyl 2-(4-methoxyphenoxy)-2-phenylselanylacetate
SMILESCOC(=O)C(Oc1ccc(OC)cc1)[Se]c1ccccc1
InChIInChI=1S/C16H16O4Se/c1-18-12-8-10-13(11-9-12)20-16(15(17)19-2)21-14-6-4-3-5-7-14/h3-11,16H,1-2H3
InChIKeyWRBQKNLTVZAAGG-UHFFFAOYSA-N
XLogP1.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-phenylselanylpropanoate
CID 5323788
2-(4-methoxyphenoxy)-2-phenylacetic acid
CID 13020555
dimethyl (2R,3S)-2-(diethylamino)-3-phenylselanylbutanedioate
CID 15322369
methyl (2S)-2-(4-methoxyphenoxy)but-3-enoate
CID 134863377
methyl (2R)-2-(4-phenylphenoxy)propanoate
CID 7085245
2-amino-N-[2-(4-methoxyphenoxy)propyl]-2-phenylacetamide;hydrochloride
CID 119290481
methyl 3-methoxy-3-(4-methoxyphenyl)-2-phenylpropanoate
CID 134922175
2-(4-methoxyphenoxy)-1,2-diphenylethanone
CID 20722156
anisole;hydrochloride
CID 158800007
2-(2-bromophenyl)-2-(4-methoxyphenoxy)acetyl chloride
CID 163377865
anisole;methyl 4-methoxybenzoate
CID 158093995
(2R,3R)-3-hydroxy-3-(4-methoxyphenyl)-2-phenoxypropanoic acid
CID 15011210

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxyphenoxy)-2-phenylselanylacetate?
The IUPAC name of methyl 2-(4-methoxyphenoxy)-2-phenylselanylacetate (CID 15262417) is methyl 2-(4-methoxyphenoxy)-2-phenylselanylacetate.
What is the SMILES notation for methyl 2-(4-methoxyphenoxy)-2-phenylselanylacetate?
The canonical SMILES for methyl 2-(4-methoxyphenoxy)-2-phenylselanylacetate is COC(=O)C(Oc1ccc(OC)cc1)[Se]c1ccccc1.
What is the InChIKey of methyl 2-(4-methoxyphenoxy)-2-phenylselanylacetate?
The InChIKey is WRBQKNLTVZAAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4Se/c1-18-12-8-10-13(11-9-12)20-16(15(17)19-2)21-14-6-4-3-5-7-14/h3-11,16H,1-2H3.
What are the key properties of methyl 2-(4-methoxyphenoxy)-2-phenylselanylacetate?
methyl 2-(4-methoxyphenoxy)-2-phenylselanylacetate has a molecular weight of 351.26 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxyphenoxy)-2-phenylselanylacetate is sourced from PubChem (CID 15262417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).