ethyl 2-(4-fluoro-3-methylphenoxy)pentanoate

C14H19FO3 — CID 83037537

IUPACethyl 2-(4-fluoro-3-methylphenoxy)pentanoate
SMILESCCCC(Oc1ccc(F)c(C)c1)C(=O)OCC
InChIInChI=1S/C14H19FO3/c1-4-6-13(14(16)17-5-2)18-11-7-8-12(15)10(3)9-11/h7-9,13H,4-6H2,1-3H3
InChIKeyJFAGLLYTUOELAG-UHFFFAOYSA-N
MW254.30 g/mol
LogP3.24
Rot. Bonds6

About ethyl 2-(4-fluoro-3-methylphenoxy)pentanoate

ethyl 2-(4-fluoro-3-methylphenoxy)pentanoate (PubChem CID 83037537) has the molecular formula C14H19FO3 and a molecular weight of 254.30 g/mol. Its IUPAC name is ethyl 2-(4-fluoro-3-methylphenoxy)pentanoate.

Molecular Properties

Compound Nameethyl 2-(4-fluoro-3-methylphenoxy)pentanoate
PubChem CID83037537
Molecular FormulaC14H19FO3
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Nameethyl 2-(4-fluoro-3-methylphenoxy)pentanoate
SMILESCCCC(Oc1ccc(F)c(C)c1)C(=O)OCC
InChIInChI=1S/C14H19FO3/c1-4-6-13(14(16)17-5-2)18-11-7-8-12(15)10(3)9-11/h7-9,13H,4-6H2,1-3H3
InChIKeyJFAGLLYTUOELAG-UHFFFAOYSA-N
XLogP3.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoro-4-methylphenoxy)pentanoic acid
CID 107168408
2-(3,4-difluorophenoxy)pentanehydrazide
CID 83048019
2-ethoxy-1-(4-fluoro-3-methylphenyl)pentan-1-one
CID 116707896
ethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate
CID 83038168
ethyl 2-(2,5-dichlorophenoxy)pentanoate
CID 83038151
ethyl 2-(3-ethylphenoxy)pentanoate
CID 83038247
ethyl (2S)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanoate
CID 168869982
methyl 2-(4-chlorophenoxy)pentanoate
CID 15744144
ethyl 2-(4-fluoro-3-methylbenzoyl)pentanoate
CID 83049789
ethyl 2-(3,5-difluorophenoxy)hexanoate
CID 134817597
ethyl 2-fluoro-2-(4-fluoro-3-methylphenyl)acetate
CID 79366877
(4-fluoro-3-methylphenyl) propanoate
CID 118592846

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluoro-3-methylphenoxy)pentanoate?
The IUPAC name of ethyl 2-(4-fluoro-3-methylphenoxy)pentanoate (CID 83037537) is ethyl 2-(4-fluoro-3-methylphenoxy)pentanoate.
What is the SMILES notation for ethyl 2-(4-fluoro-3-methylphenoxy)pentanoate?
The canonical SMILES for ethyl 2-(4-fluoro-3-methylphenoxy)pentanoate is CCCC(Oc1ccc(F)c(C)c1)C(=O)OCC.
What is the InChIKey of ethyl 2-(4-fluoro-3-methylphenoxy)pentanoate?
The InChIKey is JFAGLLYTUOELAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO3/c1-4-6-13(14(16)17-5-2)18-11-7-8-12(15)10(3)9-11/h7-9,13H,4-6H2,1-3H3.
What are the key properties of ethyl 2-(4-fluoro-3-methylphenoxy)pentanoate?
ethyl 2-(4-fluoro-3-methylphenoxy)pentanoate has a molecular weight of 254.30 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluoro-3-methylphenoxy)pentanoate is sourced from PubChem (CID 83037537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).