[(2R)-2-(4-bromophenyl)morpholin-4-yl]-[(2S)-oxolan-2-yl]methanone

C15H18BrNO3 — CID 93173457

IUPAC[(2R)-2-(4-bromophenyl)morpholin-4-yl]-[(2S)-oxolan-2-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1CCO[C@H](c2ccc(Br)cc2)C1
InChIInChI=1S/C15H18BrNO3/c16-12-5-3-11(4-6-12)14-10-17(7-9-20-14)15(18)13-2-1-8-19-13/h3-6,13-14H,1-2,7-10H2/t13-,14-/m0/s1
InChIKeyTUCFVQBOFFNENK-KBPBESRZSA-N
MW340.22 g/mol
LogP2.53
Rot. Bonds2

About [(2R)-2-(4-bromophenyl)morpholin-4-yl]-[(2S)-oxolan-2-yl]methanone

[(2R)-2-(4-bromophenyl)morpholin-4-yl]-[(2S)-oxolan-2-yl]methanone (PubChem CID 93173457) has the molecular formula C15H18BrNO3 and a molecular weight of 340.22 g/mol. Its IUPAC name is [(2R)-2-(4-bromophenyl)morpholin-4-yl]-[(2S)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-(4-bromophenyl)morpholin-4-yl]-[(2S)-oxolan-2-yl]methanone
PubChem CID93173457
Molecular FormulaC15H18BrNO3
Molecular Weight340.22 g/mol
Exact Mass339.05
IUPAC Name[(2R)-2-(4-bromophenyl)morpholin-4-yl]-[(2S)-oxolan-2-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1CCO[C@H](c2ccc(Br)cc2)C1
InChIInChI=1S/C15H18BrNO3/c16-12-5-3-11(4-6-12)14-10-17(7-9-20-14)15(18)13-2-1-8-19-13/h3-6,13-14H,1-2,7-10H2/t13-,14-/m0/s1
InChIKeyTUCFVQBOFFNENK-KBPBESRZSA-N
XLogP2.53
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-bromophenyl)morpholin-4-yl]-(oxolan-2-yl)methanone
CID 47404799
[(2S)-oxolan-2-yl]-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 51710322
4-[2-(4-bromophenyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 120673076
[(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(4-bromophenyl)morpholin-4-yl]methanone
CID 125135358
[2-(2-methylphenyl)morpholin-4-yl]-(oxolan-2-yl)methanone
CID 110364459
[2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 47913292
[2-(4-bromophenyl)-5-azaspiro[2.4]heptan-5-yl]-[(2R)-oxolan-2-yl]methanone
CID 146471082
2-(4-bromophenyl)-N-tert-butylmorpholine-4-carboxamide
CID 110664959
oxolan-2-yl-(3-phenylpyrrolidin-1-yl)methanone
CID 110871538
[2-(4-bromophenyl)morpholin-4-yl]-(3,5-dinitrophenyl)methanone
CID 60587125
[2-(4-bromophenyl)morpholin-4-yl]-(3-chlorophenyl)methanone
CID 47913302
1,3-benzodioxol-5-yl-[2-(4-bromophenyl)morpholin-4-yl]methanone
CID 47913286

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-bromophenyl)morpholin-4-yl]-[(2S)-oxolan-2-yl]methanone?
The IUPAC name of [(2R)-2-(4-bromophenyl)morpholin-4-yl]-[(2S)-oxolan-2-yl]methanone (CID 93173457) is [(2R)-2-(4-bromophenyl)morpholin-4-yl]-[(2S)-oxolan-2-yl]methanone.
What is the SMILES notation for [(2R)-2-(4-bromophenyl)morpholin-4-yl]-[(2S)-oxolan-2-yl]methanone?
The canonical SMILES for [(2R)-2-(4-bromophenyl)morpholin-4-yl]-[(2S)-oxolan-2-yl]methanone is O=C([C@@H]1CCCO1)N1CCO[C@H](c2ccc(Br)cc2)C1.
What is the InChIKey of [(2R)-2-(4-bromophenyl)morpholin-4-yl]-[(2S)-oxolan-2-yl]methanone?
The InChIKey is TUCFVQBOFFNENK-KBPBESRZSA-N. The full InChI is InChI=1S/C15H18BrNO3/c16-12-5-3-11(4-6-12)14-10-17(7-9-20-14)15(18)13-2-1-8-19-13/h3-6,13-14H,1-2,7-10H2/t13-,14-/m0/s1.
What are the key properties of [(2R)-2-(4-bromophenyl)morpholin-4-yl]-[(2S)-oxolan-2-yl]methanone?
[(2R)-2-(4-bromophenyl)morpholin-4-yl]-[(2S)-oxolan-2-yl]methanone has a molecular weight of 340.22 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(4-bromophenyl)morpholin-4-yl]-[(2S)-oxolan-2-yl]methanone is sourced from PubChem (CID 93173457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).