methyl 3-[[2-(4-fluorophenyl)acetyl]oxymethyl]benzoate

C17H15FO4 — CID 78760155

IUPACmethyl 3-[[2-(4-fluorophenyl)acetyl]oxymethyl]benzoate
SMILESCOC(=O)c1cccc(COC(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C17H15FO4/c1-21-17(20)14-4-2-3-13(9-14)11-22-16(19)10-12-5-7-15(18)8-6-12/h2-9H,10-11H2,1H3
InChIKeyWQYOWMWYTNIJOP-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.90
Rot. Bonds5

About methyl 3-[[2-(4-fluorophenyl)acetyl]oxymethyl]benzoate

methyl 3-[[2-(4-fluorophenyl)acetyl]oxymethyl]benzoate (PubChem CID 78760155) has the molecular formula C17H15FO4 and a molecular weight of 302.30 g/mol. Its IUPAC name is methyl 3-[[2-(4-fluorophenyl)acetyl]oxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(4-fluorophenyl)acetyl]oxymethyl]benzoate
PubChem CID78760155
Molecular FormulaC17H15FO4
Molecular Weight302.30 g/mol
Exact Mass302.10
IUPAC Namemethyl 3-[[2-(4-fluorophenyl)acetyl]oxymethyl]benzoate
SMILESCOC(=O)c1cccc(COC(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C17H15FO4/c1-21-17(20)14-4-2-3-13(9-14)11-22-16(19)10-12-5-7-15(18)8-6-12/h2-9H,10-11H2,1H3
InChIKeyWQYOWMWYTNIJOP-UHFFFAOYSA-N
XLogP2.90
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 78759984
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CID 7771176
methyl 3-[(4-fluoroanilino)methyl]benzoate
CID 86720703
methyl 3-[[1-(3-fluorophenyl)cyclopropanecarbonyl]oxymethyl]benzoate
CID 86960299
methyl 3-[(4-methylbenzoyl)oxymethyl]benzoate
CID 78759931
methyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate
CID 8525344
methyl 3-fluorobenzoate
CID 521184
methyl 3-(aminomethyl)benzoate;molecular hydrogen
CID 144769732
methyl 3-(2-aminoethyl)benzoate
CID 10511548
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)benzamide
CID 7603190
(3-carbamoylphenyl)methyl 3-(4-fluorophenyl)butanoate
CID 60541514
methyl 3-[(2-amino-5-fluorophenyl)sulfanylmethyl]benzoate
CID 79143786

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(4-fluorophenyl)acetyl]oxymethyl]benzoate?
The IUPAC name of methyl 3-[[2-(4-fluorophenyl)acetyl]oxymethyl]benzoate (CID 78760155) is methyl 3-[[2-(4-fluorophenyl)acetyl]oxymethyl]benzoate.
What is the SMILES notation for methyl 3-[[2-(4-fluorophenyl)acetyl]oxymethyl]benzoate?
The canonical SMILES for methyl 3-[[2-(4-fluorophenyl)acetyl]oxymethyl]benzoate is COC(=O)c1cccc(COC(=O)Cc2ccc(F)cc2)c1.
What is the InChIKey of methyl 3-[[2-(4-fluorophenyl)acetyl]oxymethyl]benzoate?
The InChIKey is WQYOWMWYTNIJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO4/c1-21-17(20)14-4-2-3-13(9-14)11-22-16(19)10-12-5-7-15(18)8-6-12/h2-9H,10-11H2,1H3.
What are the key properties of methyl 3-[[2-(4-fluorophenyl)acetyl]oxymethyl]benzoate?
methyl 3-[[2-(4-fluorophenyl)acetyl]oxymethyl]benzoate has a molecular weight of 302.30 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(4-fluorophenyl)acetyl]oxymethyl]benzoate is sourced from PubChem (CID 78760155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).