ethyl 4-(3-fluoro-4,5-dimethoxyphenyl)butanoate

C14H19FO4 — CID 58147733

IUPACethyl 4-(3-fluoro-4,5-dimethoxyphenyl)butanoate
SMILESCCOC(=O)CCCc1cc(F)c(OC)c(OC)c1
InChIInChI=1S/C14H19FO4/c1-4-19-13(16)7-5-6-10-8-11(15)14(18-3)12(9-10)17-2/h8-9H,4-7H2,1-3H3
InChIKeyNFLPMCURJFFWFZ-UHFFFAOYSA-N
MW270.30 g/mol
LogP2.73
Rot. Bonds7

About ethyl 4-(3-fluoro-4,5-dimethoxyphenyl)butanoate

ethyl 4-(3-fluoro-4,5-dimethoxyphenyl)butanoate (PubChem CID 58147733) has the molecular formula C14H19FO4 and a molecular weight of 270.30 g/mol. Its IUPAC name is ethyl 4-(3-fluoro-4,5-dimethoxyphenyl)butanoate.

Molecular Properties

Compound Nameethyl 4-(3-fluoro-4,5-dimethoxyphenyl)butanoate
PubChem CID58147733
Molecular FormulaC14H19FO4
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Nameethyl 4-(3-fluoro-4,5-dimethoxyphenyl)butanoate
SMILESCCOC(=O)CCCc1cc(F)c(OC)c(OC)c1
InChIInChI=1S/C14H19FO4/c1-4-19-13(16)7-5-6-10-8-11(15)14(18-3)12(9-10)17-2/h8-9H,4-7H2,1-3H3
InChIKeyNFLPMCURJFFWFZ-UHFFFAOYSA-N
XLogP2.73
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-fluoro-4,5-dimethoxyphenyl)butanoate?
The IUPAC name of ethyl 4-(3-fluoro-4,5-dimethoxyphenyl)butanoate (CID 58147733) is ethyl 4-(3-fluoro-4,5-dimethoxyphenyl)butanoate.
What is the SMILES notation for ethyl 4-(3-fluoro-4,5-dimethoxyphenyl)butanoate?
The canonical SMILES for ethyl 4-(3-fluoro-4,5-dimethoxyphenyl)butanoate is CCOC(=O)CCCc1cc(F)c(OC)c(OC)c1.
What is the InChIKey of ethyl 4-(3-fluoro-4,5-dimethoxyphenyl)butanoate?
The InChIKey is NFLPMCURJFFWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO4/c1-4-19-13(16)7-5-6-10-8-11(15)14(18-3)12(9-10)17-2/h8-9H,4-7H2,1-3H3.
What are the key properties of ethyl 4-(3-fluoro-4,5-dimethoxyphenyl)butanoate?
ethyl 4-(3-fluoro-4,5-dimethoxyphenyl)butanoate has a molecular weight of 270.30 g/mol, XLogP of 2.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-fluoro-4,5-dimethoxyphenyl)butanoate is sourced from PubChem (CID 58147733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).