methyl 4-(4-acetyl-2-fluorophenoxy)benzoate

C16H13FO4 — CID 60674012

IUPACmethyl 4-(4-acetyl-2-fluorophenoxy)benzoate
SMILESCOC(=O)c1ccc(Oc2ccc(C(C)=O)cc2F)cc1
InChIInChI=1S/C16H13FO4/c1-10(18)12-5-8-15(14(17)9-12)21-13-6-3-11(4-7-13)16(19)20-2/h3-9H,1-2H3
InChIKeyQXCHECRSHGSBFF-UHFFFAOYSA-N
MW288.27 g/mol
LogP3.61
Rot. Bonds4

About methyl 4-(4-acetyl-2-fluorophenoxy)benzoate

methyl 4-(4-acetyl-2-fluorophenoxy)benzoate (PubChem CID 60674012) has the molecular formula C16H13FO4 and a molecular weight of 288.27 g/mol. Its IUPAC name is methyl 4-(4-acetyl-2-fluorophenoxy)benzoate.

Molecular Properties

Compound Namemethyl 4-(4-acetyl-2-fluorophenoxy)benzoate
PubChem CID60674012
Molecular FormulaC16H13FO4
Molecular Weight288.27 g/mol
Exact Mass288.08
IUPAC Namemethyl 4-(4-acetyl-2-fluorophenoxy)benzoate
SMILESCOC(=O)c1ccc(Oc2ccc(C(C)=O)cc2F)cc1
InChIInChI=1S/C16H13FO4/c1-10(18)12-5-8-15(14(17)9-12)21-13-6-3-11(4-7-13)16(19)20-2/h3-9H,1-2H3
InChIKeyQXCHECRSHGSBFF-UHFFFAOYSA-N
XLogP3.61
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-fluoro-4-(4-methylsulfanylphenoxy)phenyl]ethanone
CID 63647834
1-[3-fluoro-4-[4-(trifluoromethyl)phenoxy]phenyl]ethanone
CID 142414912
methyl 3-fluoro-4-[4-(1,1,2,2,2-pentafluoroethyl)phenoxy]benzoate
CID 142415335
methyl 4-(4-cyclopropylphenoxy)-3-fluorobenzoate
CID 142415157
1-[3-fluoro-4-(4-propylphenoxy)phenyl]ethanone
CID 63532362
1-[4-(4-bromo-3,5-dimethylphenoxy)-3-fluorophenyl]ethanone
CID 107724721
methyl 4-(2,4-dichlorophenoxy)benzoate
CID 28911715
methyl 4-[[5,8,11,20-tetrakis(4-methoxycarbonylphenoxy)-2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaenyl]oxy]benzoate
CID 44542692
3-(4-acetyl-2-fluorophenoxy)benzoic acid
CID 61395599
methyl 4-[2-fluoro-4-[1-(1,1,2,2,2-pentafluoroethyl)cyclopropyl]phenoxy]benzoate
CID 142414802
methyl 4-[4-(4-methoxycarbonylphenoxy)-3-methylphenoxy]benzoate
CID 161428030
1-[3-fluoro-4-(3-methylsulfonylphenoxy)phenyl]ethanone
CID 43807076

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-acetyl-2-fluorophenoxy)benzoate?
The IUPAC name of methyl 4-(4-acetyl-2-fluorophenoxy)benzoate (CID 60674012) is methyl 4-(4-acetyl-2-fluorophenoxy)benzoate.
What is the SMILES notation for methyl 4-(4-acetyl-2-fluorophenoxy)benzoate?
The canonical SMILES for methyl 4-(4-acetyl-2-fluorophenoxy)benzoate is COC(=O)c1ccc(Oc2ccc(C(C)=O)cc2F)cc1.
What is the InChIKey of methyl 4-(4-acetyl-2-fluorophenoxy)benzoate?
The InChIKey is QXCHECRSHGSBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO4/c1-10(18)12-5-8-15(14(17)9-12)21-13-6-3-11(4-7-13)16(19)20-2/h3-9H,1-2H3.
What are the key properties of methyl 4-(4-acetyl-2-fluorophenoxy)benzoate?
methyl 4-(4-acetyl-2-fluorophenoxy)benzoate has a molecular weight of 288.27 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-acetyl-2-fluorophenoxy)benzoate is sourced from PubChem (CID 60674012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).