2-morpholin-4-ylethyl 2-iodobenzoate

C13H16INO3 — CID 989917

IUPAC2-morpholin-4-ylethyl 2-iodobenzoate
SMILESO=C(OCCN1CCOCC1)c1ccccc1I
InChIInChI=1S/C13H16INO3/c14-12-4-2-1-3-11(12)13(16)18-10-7-15-5-8-17-9-6-15/h1-4H,5-10H2
InChIKeyBWTGWLIPVCMJDD-UHFFFAOYSA-N
MW361.18 g/mol
LogP1.78
Rot. Bonds4

About 2-morpholin-4-ylethyl 2-iodobenzoate

2-morpholin-4-ylethyl 2-iodobenzoate (PubChem CID 989917) has the molecular formula C13H16INO3 and a molecular weight of 361.18 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 2-iodobenzoate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 2-iodobenzoate
PubChem CID989917
Molecular FormulaC13H16INO3
Molecular Weight361.18 g/mol
Exact Mass361.02
IUPAC Name2-morpholin-4-ylethyl 2-iodobenzoate
SMILESO=C(OCCN1CCOCC1)c1ccccc1I
InChIInChI=1S/C13H16INO3/c14-12-4-2-1-3-11(12)13(16)18-10-7-15-5-8-17-9-6-15/h1-4H,5-10H2
InChIKeyBWTGWLIPVCMJDD-UHFFFAOYSA-N
XLogP1.78
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.18
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-thiomorpholin-4-ylethyl 2-iodobenzoate
CID 146365991
2-morpholin-4-ylethyl 2-iodo-2-phenylacetate
CID 162508627
6-(2-iodobenzoyl)oxyhexyl 2-iodobenzoate
CID 4926782
2-morpholin-4-ylethyl 2-phenylacetate
CID 797103
2-morpholin-4-ylethyl 2-ethoxy-3-methoxybenzoate;hydrochloride
CID 138398636
2-morpholin-4-ylethyl 4-carbamoyl-3-hydroxynaphthalene-2-carboxylate
CID 57205896
2-piperidin-1-ylethyl 2-hydroxybenzoate
CID 12633972
2-morpholin-4-ylethyl 5-amino-2,4-dimethylbenzoate
CID 102706152
2-piperidin-1-ylethyl 2-chlorobenzoate;hydrochloride
CID 6602660
2-morpholin-4-ylethyl 2-phenylacetate;hydrate;hydrochloride
CID 23622530
2-morpholin-4-ylethyl 4-methoxybenzoate
CID 739087
2-morpholin-4-ylethyl pyridine-3-carboxylate;hydrochloride
CID 50944397

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 2-iodobenzoate?
The IUPAC name of 2-morpholin-4-ylethyl 2-iodobenzoate (CID 989917) is 2-morpholin-4-ylethyl 2-iodobenzoate.
What is the SMILES notation for 2-morpholin-4-ylethyl 2-iodobenzoate?
The canonical SMILES for 2-morpholin-4-ylethyl 2-iodobenzoate is O=C(OCCN1CCOCC1)c1ccccc1I.
What is the InChIKey of 2-morpholin-4-ylethyl 2-iodobenzoate?
The InChIKey is BWTGWLIPVCMJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16INO3/c14-12-4-2-1-3-11(12)13(16)18-10-7-15-5-8-17-9-6-15/h1-4H,5-10H2.
What are the key properties of 2-morpholin-4-ylethyl 2-iodobenzoate?
2-morpholin-4-ylethyl 2-iodobenzoate has a molecular weight of 361.18 g/mol, XLogP of 1.78, 4 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-iodobenzoate is sourced from PubChem (CID 989917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).