1-[4-[[4-[(5-bromofuran-2-yl)methyl]morpholin-2-yl]methoxy]-2-methylphenyl]ethanone

C19H22BrNO4 — CID 74224273

IUPAC1-[4-[[4-[(5-bromofuran-2-yl)methyl]morpholin-2-yl]methoxy]-2-methylphenyl]ethanone
SMILESCC(=O)c1ccc(OCC2CN(Cc3ccc(Br)o3)CCO2)cc1C
InChIInChI=1S/C19H22BrNO4/c1-13-9-15(3-5-18(13)14(2)22)24-12-17-11-21(7-8-23-17)10-16-4-6-19(20)25-16/h3-6,9,17H,7-8,10-12H2,1-2H3
InChIKeyOFCPEQXXBZYPSJ-UHFFFAOYSA-N
MW408.29 g/mol
LogP3.83
Rot. Bonds6

About 1-[4-[[4-[(5-bromofuran-2-yl)methyl]morpholin-2-yl]methoxy]-2-methylphenyl]ethanone

1-[4-[[4-[(5-bromofuran-2-yl)methyl]morpholin-2-yl]methoxy]-2-methylphenyl]ethanone (PubChem CID 74224273) has the molecular formula C19H22BrNO4 and a molecular weight of 408.29 g/mol. Its IUPAC name is 1-[4-[[4-[(5-bromofuran-2-yl)methyl]morpholin-2-yl]methoxy]-2-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-[(5-bromofuran-2-yl)methyl]morpholin-2-yl]methoxy]-2-methylphenyl]ethanone
PubChem CID74224273
Molecular FormulaC19H22BrNO4
Molecular Weight408.29 g/mol
Exact Mass407.07
IUPAC Name1-[4-[[4-[(5-bromofuran-2-yl)methyl]morpholin-2-yl]methoxy]-2-methylphenyl]ethanone
SMILESCC(=O)c1ccc(OCC2CN(Cc3ccc(Br)o3)CCO2)cc1C
InChIInChI=1S/C19H22BrNO4/c1-13-9-15(3-5-18(13)14(2)22)24-12-17-11-21(7-8-23-17)10-16-4-6-19(20)25-16/h3-6,9,17H,7-8,10-12H2,1-2H3
InChIKeyOFCPEQXXBZYPSJ-UHFFFAOYSA-N
XLogP3.83
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.29
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[[4-[(5-bromofuran-2-yl)methyl]morpholin-2-yl]methoxy]-2-methylphenyl]ethanone with MolForge

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Related Compounds

1-[2-methyl-4-[[4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone
CID 74225388
3-[4-[[2-[(4-acetyl-3-methylphenoxy)methyl]morpholin-4-yl]methyl]-N-(2-cyanoethyl)anilino]propanenitrile
CID 74228852
1-[4-[[4-(3-bromo-2-fluorobenzoyl)morpholin-2-yl]methoxy]-2-methylphenyl]ethanone
CID 3807377
1-[2-[(4-acetyl-3-methylphenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide
CID 3694705
(2S)-4-[(5-bromofuran-2-yl)methyl]-2-(cyclopropylmethoxymethyl)morpholine
CID 100615019
4-[(5-bromofuran-2-yl)methyl]-2-(bromomethyl)morpholine
CID 131047863
1-[2-[(4-acetyl-3-methylphenoxy)methyl]morpholin-4-yl]-2-fluoren-9-ylideneethanone
CID 3790394
1-[2-fluoro-4-[[4-[(5-methylsulfanylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone
CID 3771703
1-[4-[[4-(1H-indole-3-carbonyl)morpholin-2-yl]methoxy]-2-methylphenyl]ethanone
CID 3840261
1-[2-[(4-acetyl-3-methylphenoxy)methyl]morpholin-4-yl]-2-(3,4-dimethoxyphenyl)sulfanylethanone
CID 3854939
1-[2-[(4-acetyl-3-methylphenoxy)methyl]morpholin-4-yl]-2-(2-phenoxyethylsulfanyl)ethanone
CID 3740231
1-[4-[[4-(3-ethoxythiophene-2-carbonyl)morpholin-2-yl]methoxy]-2-methylphenyl]ethanone
CID 3559114

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[(5-bromofuran-2-yl)methyl]morpholin-2-yl]methoxy]-2-methylphenyl]ethanone?
The IUPAC name of 1-[4-[[4-[(5-bromofuran-2-yl)methyl]morpholin-2-yl]methoxy]-2-methylphenyl]ethanone (CID 74224273) is 1-[4-[[4-[(5-bromofuran-2-yl)methyl]morpholin-2-yl]methoxy]-2-methylphenyl]ethanone.
What is the SMILES notation for 1-[4-[[4-[(5-bromofuran-2-yl)methyl]morpholin-2-yl]methoxy]-2-methylphenyl]ethanone?
The canonical SMILES for 1-[4-[[4-[(5-bromofuran-2-yl)methyl]morpholin-2-yl]methoxy]-2-methylphenyl]ethanone is CC(=O)c1ccc(OCC2CN(Cc3ccc(Br)o3)CCO2)cc1C.
What is the InChIKey of 1-[4-[[4-[(5-bromofuran-2-yl)methyl]morpholin-2-yl]methoxy]-2-methylphenyl]ethanone?
The InChIKey is OFCPEQXXBZYPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO4/c1-13-9-15(3-5-18(13)14(2)22)24-12-17-11-21(7-8-23-17)10-16-4-6-19(20)25-16/h3-6,9,17H,7-8,10-12H2,1-2H3.
What are the key properties of 1-[4-[[4-[(5-bromofuran-2-yl)methyl]morpholin-2-yl]methoxy]-2-methylphenyl]ethanone?
1-[4-[[4-[(5-bromofuran-2-yl)methyl]morpholin-2-yl]methoxy]-2-methylphenyl]ethanone has a molecular weight of 408.29 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[(5-bromofuran-2-yl)methyl]morpholin-2-yl]methoxy]-2-methylphenyl]ethanone is sourced from PubChem (CID 74224273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).