methyl 5-[(2-acetyl-4-fluorophenoxy)methyl]furan-2-carboxylate

C15H13FO5 — CID 112787676

IUPACmethyl 5-[(2-acetyl-4-fluorophenoxy)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2ccc(F)cc2C(C)=O)o1
InChIInChI=1S/C15H13FO5/c1-9(17)12-7-10(16)3-5-13(12)20-8-11-4-6-14(21-11)15(18)19-2/h3-7H,8H2,1-2H3
InChIKeyUYSYSRBOFWTTCW-UHFFFAOYSA-N
MW292.26 g/mol
LogP2.99
Rot. Bonds5

About methyl 5-[(2-acetyl-4-fluorophenoxy)methyl]furan-2-carboxylate

methyl 5-[(2-acetyl-4-fluorophenoxy)methyl]furan-2-carboxylate (PubChem CID 112787676) has the molecular formula C15H13FO5 and a molecular weight of 292.26 g/mol. Its IUPAC name is methyl 5-[(2-acetyl-4-fluorophenoxy)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-acetyl-4-fluorophenoxy)methyl]furan-2-carboxylate
PubChem CID112787676
Molecular FormulaC15H13FO5
Molecular Weight292.26 g/mol
Exact Mass292.07
IUPAC Namemethyl 5-[(2-acetyl-4-fluorophenoxy)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2ccc(F)cc2C(C)=O)o1
InChIInChI=1S/C15H13FO5/c1-9(17)12-7-10(16)3-5-13(12)20-8-11-4-6-14(21-11)15(18)19-2/h3-7H,8H2,1-2H3
InChIKeyUYSYSRBOFWTTCW-UHFFFAOYSA-N
XLogP2.99
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(4-ethylphenyl)methoxy]-5-fluorophenyl]ethanone
CID 78992368
methyl 5-[(2-methoxy-4-methylphenoxy)methyl]furan-2-carboxylate
CID 4193916
1-[5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]ethanone
CID 78906404
methyl 2-[[5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19453002
5-[(2-acetylphenoxy)methyl]furan-2-carboxylic acid
CID 4683142
methyl 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylate
CID 950139
methyl 5-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]furan-2-carboxylate
CID 143316139
2-[(5-bromofuran-2-yl)methoxy]-5-fluorobenzoic acid
CID 113281408
methyl 5-[(2-bromo-4-formylphenoxy)methyl]furan-2-carboxylate
CID 28913563
methyl 5-[(2,6-dimethoxy-4-methylphenoxy)methyl]furan-2-carboxylate
CID 7695683
4-[(2-acetyl-4-fluorophenoxy)methyl]-N-phenylbenzamide
CID 112787692
methyl 5-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 9436318

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-acetyl-4-fluorophenoxy)methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(2-acetyl-4-fluorophenoxy)methyl]furan-2-carboxylate (CID 112787676) is methyl 5-[(2-acetyl-4-fluorophenoxy)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(2-acetyl-4-fluorophenoxy)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(2-acetyl-4-fluorophenoxy)methyl]furan-2-carboxylate is COC(=O)c1ccc(COc2ccc(F)cc2C(C)=O)o1.
What is the InChIKey of methyl 5-[(2-acetyl-4-fluorophenoxy)methyl]furan-2-carboxylate?
The InChIKey is UYSYSRBOFWTTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO5/c1-9(17)12-7-10(16)3-5-13(12)20-8-11-4-6-14(21-11)15(18)19-2/h3-7H,8H2,1-2H3.
What are the key properties of methyl 5-[(2-acetyl-4-fluorophenoxy)methyl]furan-2-carboxylate?
methyl 5-[(2-acetyl-4-fluorophenoxy)methyl]furan-2-carboxylate has a molecular weight of 292.26 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-acetyl-4-fluorophenoxy)methyl]furan-2-carboxylate is sourced from PubChem (CID 112787676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).