4-(4-bromophenyl)-3-(2-morpholin-4-ylethoxy)-2H-furan-5-one

C16H18BrNO4 — CID 56680194

IUPAC4-(4-bromophenyl)-3-(2-morpholin-4-ylethoxy)-2H-furan-5-one
SMILESO=C1OCC(OCCN2CCOCC2)=C1c1ccc(Br)cc1
InChIInChI=1S/C16H18BrNO4/c17-13-3-1-12(2-4-13)15-14(11-22-16(15)19)21-10-7-18-5-8-20-9-6-18/h1-4H,5-11H2
InChIKeyZKOHTLOQHLPZOA-UHFFFAOYSA-N
MW368.23 g/mol
LogP2.07
Rot. Bonds5

About 4-(4-bromophenyl)-3-(2-morpholin-4-ylethoxy)-2H-furan-5-one

4-(4-bromophenyl)-3-(2-morpholin-4-ylethoxy)-2H-furan-5-one (PubChem CID 56680194) has the molecular formula C16H18BrNO4 and a molecular weight of 368.23 g/mol. Its IUPAC name is 4-(4-bromophenyl)-3-(2-morpholin-4-ylethoxy)-2H-furan-5-one.

Molecular Properties

Compound Name4-(4-bromophenyl)-3-(2-morpholin-4-ylethoxy)-2H-furan-5-one
PubChem CID56680194
Molecular FormulaC16H18BrNO4
Molecular Weight368.23 g/mol
Exact Mass367.04
IUPAC Name4-(4-bromophenyl)-3-(2-morpholin-4-ylethoxy)-2H-furan-5-one
SMILESO=C1OCC(OCCN2CCOCC2)=C1c1ccc(Br)cc1
InChIInChI=1S/C16H18BrNO4/c17-13-3-1-12(2-4-13)15-14(11-22-16(15)19)21-10-7-18-5-8-20-9-6-18/h1-4H,5-11H2
InChIKeyZKOHTLOQHLPZOA-UHFFFAOYSA-N
XLogP2.07
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-bromophenyl)-3-(2-morpholin-4-ylethoxy)-2H-furan-5-one
CID 56666628
3-[2-(4-methylpiperazin-1-yl)ethoxy]-4-phenyl-2H-furan-5-one
CID 56680191
4-[3-(4-bromophenoxy)propyl]morpholine;oxalic acid
CID 2843796
4-[3-[4-(4-bromophenyl)triazol-1-yl]propyl]morpholine
CID 50852596
2-(3,4-difluorophenyl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one
CID 51002326
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
4-(2-fluorophenyl)-2-[2-(2-morpholin-4-ylethoxy)phenyl]-1,3,4-oxadiazin-5-one
CID 22632757
(2E,5E)-2,5-bis[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]cyclopentan-1-one
CID 71518525
4-methoxy-3-(2-morpholin-4-ylethoxy)benzaldehyde
CID 3251033
4-[2-[4-(3-fluoro-4-methylphenyl)phenoxy]ethyl]morpholine
CID 123641546
2,2-dimethyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one
CID 68629436

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-3-(2-morpholin-4-ylethoxy)-2H-furan-5-one?
The IUPAC name of 4-(4-bromophenyl)-3-(2-morpholin-4-ylethoxy)-2H-furan-5-one (CID 56680194) is 4-(4-bromophenyl)-3-(2-morpholin-4-ylethoxy)-2H-furan-5-one.
What is the SMILES notation for 4-(4-bromophenyl)-3-(2-morpholin-4-ylethoxy)-2H-furan-5-one?
The canonical SMILES for 4-(4-bromophenyl)-3-(2-morpholin-4-ylethoxy)-2H-furan-5-one is O=C1OCC(OCCN2CCOCC2)=C1c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-3-(2-morpholin-4-ylethoxy)-2H-furan-5-one?
The InChIKey is ZKOHTLOQHLPZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO4/c17-13-3-1-12(2-4-13)15-14(11-22-16(15)19)21-10-7-18-5-8-20-9-6-18/h1-4H,5-11H2.
What are the key properties of 4-(4-bromophenyl)-3-(2-morpholin-4-ylethoxy)-2H-furan-5-one?
4-(4-bromophenyl)-3-(2-morpholin-4-ylethoxy)-2H-furan-5-one has a molecular weight of 368.23 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-3-(2-morpholin-4-ylethoxy)-2H-furan-5-one is sourced from PubChem (CID 56680194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).