1-(3-fluoro-4-methoxyphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone

C14H18FNO4 — CID 81205009

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone
SMILESCOc1ccc(C(=O)CN2CCOC(CO)C2)cc1F
InChIInChI=1S/C14H18FNO4/c1-19-14-3-2-10(6-12(14)15)13(18)8-16-4-5-20-11(7-16)9-17/h2-3,6,11,17H,4-5,7-9H2,1H3
InChIKeyYLCGCILSTPQQMT-UHFFFAOYSA-N
MW283.30 g/mol
LogP0.71
Rot. Bonds5

About 1-(3-fluoro-4-methoxyphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone

1-(3-fluoro-4-methoxyphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone (PubChem CID 81205009) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone
PubChem CID81205009
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone
SMILESCOc1ccc(C(=O)CN2CCOC(CO)C2)cc1F
InChIInChI=1S/C14H18FNO4/c1-19-14-3-2-10(6-12(14)15)13(18)8-16-4-5-20-11(7-16)9-17/h2-3,6,11,17H,4-5,7-9H2,1H3
InChIKeyYLCGCILSTPQQMT-UHFFFAOYSA-N
XLogP0.71
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81204171
1-(3-fluoro-4-methoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanone
CID 62972902
1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64597987
1-(3-fluoro-4-methoxyphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 62023135
1-(3-fluoro-4-methoxyphenyl)-2-thiomorpholin-4-ylethanone
CID 62052732
[(2R)-2-ethylmorpholin-4-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 51934437
1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone
CID 43227712
methyl 2-fluoro-4-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzoate
CID 103749535
1-(2-chlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81204174
(3-fluoro-4-methoxyphenyl)-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 124944270
2-(2-ethylpiperidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43227568
3-[2-(hydroxymethyl)morpholin-4-yl]-1-(4-methylphenyl)propan-1-one
CID 81214433

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone (CID 81205009) is 1-(3-fluoro-4-methoxyphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone is COc1ccc(C(=O)CN2CCOC(CO)C2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone?
The InChIKey is YLCGCILSTPQQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-19-14-3-2-10(6-12(14)15)13(18)8-16-4-5-20-11(7-16)9-17/h2-3,6,11,17H,4-5,7-9H2,1H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone?
1-(3-fluoro-4-methoxyphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone has a molecular weight of 283.30 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 81205009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).