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

C15H18BrNO3 — CID 47404799

IUPAC[2-(4-bromophenyl)morpholin-4-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCOC(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
InChIKeyTUCFVQBOFFNENK-UHFFFAOYSA-N
MW340.22 g/mol
LogP2.53
Rot. Bonds2

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

[2-(4-bromophenyl)morpholin-4-yl]-(oxolan-2-yl)methanone (PubChem CID 47404799) has the molecular formula C15H18BrNO3 and a molecular weight of 340.22 g/mol. Its IUPAC name is [2-(4-bromophenyl)morpholin-4-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[2-(4-bromophenyl)morpholin-4-yl]-(oxolan-2-yl)methanone
PubChem CID47404799
Molecular FormulaC15H18BrNO3
Molecular Weight340.22 g/mol
Exact Mass339.05
IUPAC Name[2-(4-bromophenyl)morpholin-4-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCOC(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
InChIKeyTUCFVQBOFFNENK-UHFFFAOYSA-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

[(2R)-2-(4-bromophenyl)morpholin-4-yl]-[(2S)-oxolan-2-yl]methanone
CID 93173457
[(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 [2-(4-bromophenyl)morpholin-4-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [2-(4-bromophenyl)morpholin-4-yl]-(oxolan-2-yl)methanone (CID 47404799) is [2-(4-bromophenyl)morpholin-4-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [2-(4-bromophenyl)morpholin-4-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [2-(4-bromophenyl)morpholin-4-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCOC(c2ccc(Br)cc2)C1.
What is the InChIKey of [2-(4-bromophenyl)morpholin-4-yl]-(oxolan-2-yl)methanone?
The InChIKey is TUCFVQBOFFNENK-UHFFFAOYSA-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.
What are the key properties of [2-(4-bromophenyl)morpholin-4-yl]-(oxolan-2-yl)methanone?
[2-(4-bromophenyl)morpholin-4-yl]-(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 [2-(4-bromophenyl)morpholin-4-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 47404799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).