2-morpholin-4-ylethyl 2-iodo-2-phenylacetate

C14H18INO3 — CID 162508627

IUPAC2-morpholin-4-ylethyl 2-iodo-2-phenylacetate
SMILESO=C(OCCN1CCOCC1)C(I)c1ccccc1
InChIInChI=1S/C14H18INO3/c15-13(12-4-2-1-3-5-12)14(17)19-11-8-16-6-9-18-10-7-16/h1-5,13H,6-11H2
InChIKeyLEUUOOLQOXBWKN-UHFFFAOYSA-N
MW375.21 g/mol
LogP2.04
Rot. Bonds5

About 2-morpholin-4-ylethyl 2-iodo-2-phenylacetate

2-morpholin-4-ylethyl 2-iodo-2-phenylacetate (PubChem CID 162508627) has the molecular formula C14H18INO3 and a molecular weight of 375.21 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 2-iodo-2-phenylacetate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 2-iodo-2-phenylacetate
PubChem CID162508627
Molecular FormulaC14H18INO3
Molecular Weight375.21 g/mol
Exact Mass375.03
IUPAC Name2-morpholin-4-ylethyl 2-iodo-2-phenylacetate
SMILESO=C(OCCN1CCOCC1)C(I)c1ccccc1
InChIInChI=1S/C14H18INO3/c15-13(12-4-2-1-3-5-12)14(17)19-11-8-16-6-9-18-10-7-16/h1-5,13H,6-11H2
InChIKeyLEUUOOLQOXBWKN-UHFFFAOYSA-N
XLogP2.04
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.21
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-morpholin-4-ylethyl N-(2,2-diphenylacetyl)carbamate
CID 54336575
10-morpholin-4-yldecyl 2,2-diphenylacetate
CID 97355396
2-morpholin-4-ylethyl 2-phenylacetate
CID 797103
2-pyrrolidin-1-ylethyl (2S)-2-hydroxy-2-phenylacetate
CID 95562526
2-morpholin-4-ylethyl 2-iodobenzoate
CID 989917
2-morpholin-4-ylethyl 2-phenylacetate;hydrate;hydrochloride
CID 23622530
2-morpholin-4-ylethyl N-carbamoyl-N-phenylcarbamate
CID 23202915
2-morpholin-4-ylethyl 2-iodobut-3-enoate
CID 162508454
N-(2-morpholin-4-ylethoxy)benzamide
CID 110642751
2-(2-morpholin-4-ylethoxy)ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetate
CID 24844455
ethane;2-morpholin-4-ylethyl 2-methylpropanoate
CID 156731056
6-morpholin-4-yl-1,1-diphenylhexan-3-one
CID 159280130

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 2-iodo-2-phenylacetate?
The IUPAC name of 2-morpholin-4-ylethyl 2-iodo-2-phenylacetate (CID 162508627) is 2-morpholin-4-ylethyl 2-iodo-2-phenylacetate.
What is the SMILES notation for 2-morpholin-4-ylethyl 2-iodo-2-phenylacetate?
The canonical SMILES for 2-morpholin-4-ylethyl 2-iodo-2-phenylacetate is O=C(OCCN1CCOCC1)C(I)c1ccccc1.
What is the InChIKey of 2-morpholin-4-ylethyl 2-iodo-2-phenylacetate?
The InChIKey is LEUUOOLQOXBWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18INO3/c15-13(12-4-2-1-3-5-12)14(17)19-11-8-16-6-9-18-10-7-16/h1-5,13H,6-11H2.
What are the key properties of 2-morpholin-4-ylethyl 2-iodo-2-phenylacetate?
2-morpholin-4-ylethyl 2-iodo-2-phenylacetate has a molecular weight of 375.21 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 2-iodo-2-phenylacetate is sourced from PubChem (CID 162508627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).