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

C16H18BrNO4 — CID 56666628

IUPAC4-(3-bromophenyl)-3-(2-morpholin-4-ylethoxy)-2H-furan-5-one
SMILESO=C1OCC(OCCN2CCOCC2)=C1c1cccc(Br)c1
InChIInChI=1S/C16H18BrNO4/c17-13-3-1-2-12(10-13)15-14(11-22-16(15)19)21-9-6-18-4-7-20-8-5-18/h1-3,10H,4-9,11H2
InChIKeySJQRXLWXOFJHHI-UHFFFAOYSA-N
MW368.23 g/mol
LogP2.07
Rot. Bonds5

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

4-(3-bromophenyl)-3-(2-morpholin-4-ylethoxy)-2H-furan-5-one (PubChem CID 56666628) has the molecular formula C16H18BrNO4 and a molecular weight of 368.23 g/mol. Its IUPAC name is 4-(3-bromophenyl)-3-(2-morpholin-4-ylethoxy)-2H-furan-5-one.

Molecular Properties

Compound Name4-(3-bromophenyl)-3-(2-morpholin-4-ylethoxy)-2H-furan-5-one
PubChem CID56666628
Molecular FormulaC16H18BrNO4
Molecular Weight368.23 g/mol
Exact Mass367.04
IUPAC Name4-(3-bromophenyl)-3-(2-morpholin-4-ylethoxy)-2H-furan-5-one
SMILESO=C1OCC(OCCN2CCOCC2)=C1c1cccc(Br)c1
InChIInChI=1S/C16H18BrNO4/c17-13-3-1-2-12(10-13)15-14(11-22-16(15)19)21-9-6-18-4-7-20-8-5-18/h1-3,10H,4-9,11H2
InChIKeySJQRXLWXOFJHHI-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-(4-bromophenyl)-3-(2-morpholin-4-ylethoxy)-2H-furan-5-one
CID 56680194
3-[2-(4-methylpiperazin-1-yl)ethoxy]-4-phenyl-2H-furan-5-one
CID 56680191
4-[2-[2-(3-bromophenyl)imidazol-1-yl]ethyl]morpholine
CID 82562319
1-methyl-3-(1-methylindol-3-yl)-4-[3-(2-morpholin-4-ylethoxy)phenyl]pyrrole-2,5-dione
CID 18403518
4-[(3-bromophenyl)methyl]morpholine;hydrochloride
CID 17249740
2-(3-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 47100694
4-[2-[3-(1H-pyrrol-2-yl)phenoxy]ethyl]morpholine
CID 141374478
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407
7-(2-morpholin-4-ylethoxy)-2-phenylchromen-4-one
CID 162359717
1-(3-bromophenyl)-3-[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea
CID 59258726
N-(3-bromophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 11620156

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-3-(2-morpholin-4-ylethoxy)-2H-furan-5-one?
The IUPAC name of 4-(3-bromophenyl)-3-(2-morpholin-4-ylethoxy)-2H-furan-5-one (CID 56666628) is 4-(3-bromophenyl)-3-(2-morpholin-4-ylethoxy)-2H-furan-5-one.
What is the SMILES notation for 4-(3-bromophenyl)-3-(2-morpholin-4-ylethoxy)-2H-furan-5-one?
The canonical SMILES for 4-(3-bromophenyl)-3-(2-morpholin-4-ylethoxy)-2H-furan-5-one is O=C1OCC(OCCN2CCOCC2)=C1c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)-3-(2-morpholin-4-ylethoxy)-2H-furan-5-one?
The InChIKey is SJQRXLWXOFJHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO4/c17-13-3-1-2-12(10-13)15-14(11-22-16(15)19)21-9-6-18-4-7-20-8-5-18/h1-3,10H,4-9,11H2.
What are the key properties of 4-(3-bromophenyl)-3-(2-morpholin-4-ylethoxy)-2H-furan-5-one?
4-(3-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-(3-bromophenyl)-3-(2-morpholin-4-ylethoxy)-2H-furan-5-one is sourced from PubChem (CID 56666628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).