ethylbenzene;3-fluoro-4-morpholin-4-ylbenzaldehyde;methanol

C20H26FNO3 — CID 142383850

IUPACethylbenzene;3-fluoro-4-morpholin-4-ylbenzaldehyde;methanol
SMILESCCc1ccccc1.CO.O=Cc1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C11H12FNO2.C8H10.CH4O/c12-10-7-9(8-14)1-2-11(10)13-3-5-15-6-4-13;1-2-8-6-4-3-5-7-8;1-2/h1-2,7-8H,3-6H2;3-7H,2H2,1H3;2H,1H3
InChIKeyWYOGLKQCZIBNJL-UHFFFAOYSA-N
MW347.43 g/mol
LogP3.33
Rot. Bonds3

About ethylbenzene;3-fluoro-4-morpholin-4-ylbenzaldehyde;methanol

ethylbenzene;3-fluoro-4-morpholin-4-ylbenzaldehyde;methanol (PubChem CID 142383850) has the molecular formula C20H26FNO3 and a molecular weight of 347.43 g/mol. Its IUPAC name is ethylbenzene;3-fluoro-4-morpholin-4-ylbenzaldehyde;methanol.

Molecular Properties

Compound Nameethylbenzene;3-fluoro-4-morpholin-4-ylbenzaldehyde;methanol
PubChem CID142383850
Molecular FormulaC20H26FNO3
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Nameethylbenzene;3-fluoro-4-morpholin-4-ylbenzaldehyde;methanol
SMILESCCc1ccccc1.CO.O=Cc1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C11H12FNO2.C8H10.CH4O/c12-10-7-9(8-14)1-2-11(10)13-3-5-15-6-4-13;1-2-8-6-4-3-5-7-8;1-2/h1-2,7-8H,3-6H2;3-7H,2H2,1H3;2H,1H3
InChIKeyWYOGLKQCZIBNJL-UHFFFAOYSA-N
XLogP3.33
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(azetidin-1-yl)-3-fluorobenzaldehyde
CID 130547544
3-benzyl-5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]imidazolidine-2,4-dione
CID 1006186
3-fluoro-4-[4-(1-hydroxyethyl)piperidin-1-yl]benzaldehyde
CID 106836349
N,N-diethyl-2-[4-(2-fluoro-4-formylphenyl)piperazin-1-yl]-2-phenylacetamide
CID 86612370
1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-methylphenyl)methanimine
CID 126135963
benzyl 3-(3-fluoro-4-morpholin-4-ylphenyl)propanoate
CID 145192081
1-(3-fluoro-4-morpholin-4-ylphenyl)-N-naphthalen-2-ylmethanimine
CID 126145909
3-fluoro-4-(4-methylsulfonylpiperazin-1-yl)benzaldehyde
CID 62992440
2-(4-bromophenyl)-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 19061673
3-(3-fluoro-4-morpholin-4-ylphenyl)-1-methyl-1-(2-phenylethyl)urea
CID 118398302
1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 126129820
1-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-one
CID 723653

Frequently Asked Questions

What is the IUPAC name of ethylbenzene;3-fluoro-4-morpholin-4-ylbenzaldehyde;methanol?
The IUPAC name of ethylbenzene;3-fluoro-4-morpholin-4-ylbenzaldehyde;methanol (CID 142383850) is ethylbenzene;3-fluoro-4-morpholin-4-ylbenzaldehyde;methanol.
What is the SMILES notation for ethylbenzene;3-fluoro-4-morpholin-4-ylbenzaldehyde;methanol?
The canonical SMILES for ethylbenzene;3-fluoro-4-morpholin-4-ylbenzaldehyde;methanol is CCc1ccccc1.CO.O=Cc1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of ethylbenzene;3-fluoro-4-morpholin-4-ylbenzaldehyde;methanol?
The InChIKey is WYOGLKQCZIBNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2.C8H10.CH4O/c12-10-7-9(8-14)1-2-11(10)13-3-5-15-6-4-13;1-2-8-6-4-3-5-7-8;1-2/h1-2,7-8H,3-6H2;3-7H,2H2,1H3;2H,1H3.
What are the key properties of ethylbenzene;3-fluoro-4-morpholin-4-ylbenzaldehyde;methanol?
ethylbenzene;3-fluoro-4-morpholin-4-ylbenzaldehyde;methanol has a molecular weight of 347.43 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;3-fluoro-4-morpholin-4-ylbenzaldehyde;methanol is sourced from PubChem (CID 142383850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).