methyl 2-[2-fluoro-4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]phenyl]acetate

C16H22FNO4 — CID 169157044

IUPACmethyl 2-[2-fluoro-4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OCCN2CCO[C@@H](C)C2)cc1F
InChIInChI=1S/C16H22FNO4/c1-12-11-18(5-7-21-12)6-8-22-14-4-3-13(15(17)10-14)9-16(19)20-2/h3-4,10,12H,5-9,11H2,1-2H3/t12-/m0/s1
InChIKeyFGWNQZADQUMHSZ-LBPRGKRZSA-N
MW311.35 g/mol
LogP1.64
Rot. Bonds6

About methyl 2-[2-fluoro-4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]phenyl]acetate

methyl 2-[2-fluoro-4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]phenyl]acetate (PubChem CID 169157044) has the molecular formula C16H22FNO4 and a molecular weight of 311.35 g/mol. Its IUPAC name is methyl 2-[2-fluoro-4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-fluoro-4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]phenyl]acetate
PubChem CID169157044
Molecular FormulaC16H22FNO4
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Namemethyl 2-[2-fluoro-4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OCCN2CCO[C@@H](C)C2)cc1F
InChIInChI=1S/C16H22FNO4/c1-12-11-18(5-7-21-12)6-8-22-14-4-3-13(15(17)10-14)9-16(19)20-2/h3-4,10,12H,5-9,11H2,1-2H3/t12-/m0/s1
InChIKeyFGWNQZADQUMHSZ-LBPRGKRZSA-N
XLogP1.64
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Propiophenone, 4'-butoxy-3-morpholino-, hydrochloride
CID 199911
Propiophenone, 4'-(2-hydroxy-3-morpholinopropoxy)-
CID 98456
Butoxycaine
CID 16882
4-Ethoxy-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester
CID 2913384
1-(4-(Hexyloxy)phenyl)-3-morpholinopropan-1-one
CID 24843916
3-(4-Isopropoxyphenyl)-4-methyl-1-morpholinopentan-1-one
CID 3365865
1-(Pyrrolidin-1-YL)propan-2-YL 2-(4-methoxyphenyl)acetate hydrochloride
CID 6603063
1-[2-(4-Benzyl-phenoxy)-ethyl]-piperidine-4-carboxylic acid ethyl ester
CID 9907252
2-ethoxy-3-(4-(2-(4-(4-methoxyphenyl)-5,6-dihydropyridin-1(2H)-yl)ethoxy)phenyl)propanoic acid
CID 44579289
1-[4-[2-(4-Morpholinyl)ethoxy]phenyl]-1-propanone
CID 209941
4-Ethoxy-benzoic acid 1-methyl-piperidin-3-yl ester
CID 2911831
3-Morpholin-4-yl-1-(4-pentyloxy-phenyl)-propan-1-one
CID 23724387

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-fluoro-4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]phenyl]acetate?
The IUPAC name of methyl 2-[2-fluoro-4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]phenyl]acetate (CID 169157044) is methyl 2-[2-fluoro-4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-fluoro-4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]phenyl]acetate?
The canonical SMILES for methyl 2-[2-fluoro-4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]phenyl]acetate is COC(=O)Cc1ccc(OCCN2CCO[C@@H](C)C2)cc1F.
What is the InChIKey of methyl 2-[2-fluoro-4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]phenyl]acetate?
The InChIKey is FGWNQZADQUMHSZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22FNO4/c1-12-11-18(5-7-21-12)6-8-22-14-4-3-13(15(17)10-14)9-16(19)20-2/h3-4,10,12H,5-9,11H2,1-2H3/t12-/m0/s1.
What are the key properties of methyl 2-[2-fluoro-4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]phenyl]acetate?
methyl 2-[2-fluoro-4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]phenyl]acetate has a molecular weight of 311.35 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-fluoro-4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]phenyl]acetate is sourced from PubChem (CID 169157044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).