methyl 2-(2,5-difluoro-4-methoxyphenyl)butanoate

C12H14F2O3 — CID 116964440

IUPACmethyl 2-(2,5-difluoro-4-methoxyphenyl)butanoate
SMILESCCC(C(=O)OC)c1cc(F)c(OC)cc1F
InChIInChI=1S/C12H14F2O3/c1-4-7(12(15)17-3)8-5-10(14)11(16-2)6-9(8)13/h5-7H,4H2,1-3H3
InChIKeyIKDFKWRNTYVLGF-UHFFFAOYSA-N
MW244.24 g/mol
LogP2.64
Rot. Bonds4

About methyl 2-(2,5-difluoro-4-methoxyphenyl)butanoate

methyl 2-(2,5-difluoro-4-methoxyphenyl)butanoate (PubChem CID 116964440) has the molecular formula C12H14F2O3 and a molecular weight of 244.24 g/mol. Its IUPAC name is methyl 2-(2,5-difluoro-4-methoxyphenyl)butanoate.

Molecular Properties

Compound Namemethyl 2-(2,5-difluoro-4-methoxyphenyl)butanoate
PubChem CID116964440
Molecular FormulaC12H14F2O3
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Namemethyl 2-(2,5-difluoro-4-methoxyphenyl)butanoate
SMILESCCC(C(=O)OC)c1cc(F)c(OC)cc1F
InChIInChI=1S/C12H14F2O3/c1-4-7(12(15)17-3)8-5-10(14)11(16-2)6-9(8)13/h5-7H,4H2,1-3H3
InChIKeyIKDFKWRNTYVLGF-UHFFFAOYSA-N
XLogP2.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,5-difluoro-2-methoxyphenyl)butanoic acid
CID 84793557
methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)butanoate
CID 116964458
2-(2,5-difluoro-4-methoxyphenyl)-2-(methylamino)acetamide
CID 116961673
methyl 2-(2-amino-3,5-difluorophenyl)butanoate
CID 106987849
methyl 2-(4-ethoxy-3-fluorophenyl)butanoate
CID 116964396
3-amino-3-(2,5-difluoro-4-methoxyphenyl)-N'-methylpropanehydrazide
CID 116849719
methyl 3-(2-fluoro-4,5-dimethoxyphenyl)-2,3-dihydroxypropanoate
CID 171865301
methyl 2-(5-chloro-4-methoxy-2-methylphenyl)butanoate
CID 116964394
ethyl 2-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetate
CID 117367194
3-amino-3-(2,5-difluoro-4-methoxyphenyl)-2-methylpropanoic acid
CID 116938095
methyl 2-(3-fluoro-4-methoxyphenyl)pentanoate
CID 112508521
2-(2,5-difluoro-4-methoxyphenyl)-N'-methylpropanehydrazide
CID 116847082

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,5-difluoro-4-methoxyphenyl)butanoate?
The IUPAC name of methyl 2-(2,5-difluoro-4-methoxyphenyl)butanoate (CID 116964440) is methyl 2-(2,5-difluoro-4-methoxyphenyl)butanoate.
What is the SMILES notation for methyl 2-(2,5-difluoro-4-methoxyphenyl)butanoate?
The canonical SMILES for methyl 2-(2,5-difluoro-4-methoxyphenyl)butanoate is CCC(C(=O)OC)c1cc(F)c(OC)cc1F.
What is the InChIKey of methyl 2-(2,5-difluoro-4-methoxyphenyl)butanoate?
The InChIKey is IKDFKWRNTYVLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O3/c1-4-7(12(15)17-3)8-5-10(14)11(16-2)6-9(8)13/h5-7H,4H2,1-3H3.
What are the key properties of methyl 2-(2,5-difluoro-4-methoxyphenyl)butanoate?
methyl 2-(2,5-difluoro-4-methoxyphenyl)butanoate has a molecular weight of 244.24 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,5-difluoro-4-methoxyphenyl)butanoate is sourced from PubChem (CID 116964440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).