ethyl 3-[3-(5-fluoro-2-methoxyphenyl)-2-oxopropyl]benzoate

C19H19FO4 — CID 159856504

IUPACethyl 3-[3-(5-fluoro-2-methoxyphenyl)-2-oxopropyl]benzoate
SMILESCCOC(=O)c1cccc(CC(=O)Cc2cc(F)ccc2OC)c1
InChIInChI=1S/C19H19FO4/c1-3-24-19(22)14-6-4-5-13(9-14)10-17(21)12-15-11-16(20)7-8-18(15)23-2/h4-9,11H,3,10,12H2,1-2H3
InChIKeyNQPGOHYYGGEJMP-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.37
Rot. Bonds7

About ethyl 3-[3-(5-fluoro-2-methoxyphenyl)-2-oxopropyl]benzoate

ethyl 3-[3-(5-fluoro-2-methoxyphenyl)-2-oxopropyl]benzoate (PubChem CID 159856504) has the molecular formula C19H19FO4 and a molecular weight of 330.36 g/mol. Its IUPAC name is ethyl 3-[3-(5-fluoro-2-methoxyphenyl)-2-oxopropyl]benzoate.

Molecular Properties

Compound Nameethyl 3-[3-(5-fluoro-2-methoxyphenyl)-2-oxopropyl]benzoate
PubChem CID159856504
Molecular FormulaC19H19FO4
Molecular Weight330.36 g/mol
Exact Mass330.13
IUPAC Nameethyl 3-[3-(5-fluoro-2-methoxyphenyl)-2-oxopropyl]benzoate
SMILESCCOC(=O)c1cccc(CC(=O)Cc2cc(F)ccc2OC)c1
InChIInChI=1S/C19H19FO4/c1-3-24-19(22)14-6-4-5-13(9-14)10-17(21)12-15-11-16(20)7-8-18(15)23-2/h4-9,11H,3,10,12H2,1-2H3
InChIKeyNQPGOHYYGGEJMP-UHFFFAOYSA-N
XLogP3.37
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(aminomethyl)benzoate
CID 15079215
1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)propan-2-one
CID 104793404
diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl 4-[3-(2-chloro-4-fluorophenyl)-2-oxopropyl]benzoate
CID 159545809
1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)propan-2-one
CID 62620945
ethyl 3-amino-4-[(3-fluorophenyl)methoxy]benzoate
CID 82057348
1-(3,4-difluorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 114965782
1-(2,4-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 62196543
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(3-methylphenyl)acetamide
CID 110780202
(5-fluoro-2-methoxyphenyl)methyl 3-(methylsulfamoyl)benzoate
CID 9320186
ethyl 3-[3-(3-ethoxy-3-oxopropyl)-4-methoxybenzoyl]benzoate
CID 14739655
ethyl 3-[(dimethylamino)methyl]benzoate
CID 118181907

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-(5-fluoro-2-methoxyphenyl)-2-oxopropyl]benzoate?
The IUPAC name of ethyl 3-[3-(5-fluoro-2-methoxyphenyl)-2-oxopropyl]benzoate (CID 159856504) is ethyl 3-[3-(5-fluoro-2-methoxyphenyl)-2-oxopropyl]benzoate.
What is the SMILES notation for ethyl 3-[3-(5-fluoro-2-methoxyphenyl)-2-oxopropyl]benzoate?
The canonical SMILES for ethyl 3-[3-(5-fluoro-2-methoxyphenyl)-2-oxopropyl]benzoate is CCOC(=O)c1cccc(CC(=O)Cc2cc(F)ccc2OC)c1.
What is the InChIKey of ethyl 3-[3-(5-fluoro-2-methoxyphenyl)-2-oxopropyl]benzoate?
The InChIKey is NQPGOHYYGGEJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO4/c1-3-24-19(22)14-6-4-5-13(9-14)10-17(21)12-15-11-16(20)7-8-18(15)23-2/h4-9,11H,3,10,12H2,1-2H3.
What are the key properties of ethyl 3-[3-(5-fluoro-2-methoxyphenyl)-2-oxopropyl]benzoate?
ethyl 3-[3-(5-fluoro-2-methoxyphenyl)-2-oxopropyl]benzoate has a molecular weight of 330.36 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-(5-fluoro-2-methoxyphenyl)-2-oxopropyl]benzoate is sourced from PubChem (CID 159856504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).