ethyl 2-fluoro-2-(3-methoxy-2-methylphenyl)propanoate

C13H17FO3 — CID 171559871

IUPACethyl 2-fluoro-2-(3-methoxy-2-methylphenyl)propanoate
SMILESCCOC(=O)C(C)(F)c1cccc(OC)c1C
InChIInChI=1S/C13H17FO3/c1-5-17-12(15)13(3,14)10-7-6-8-11(16-4)9(10)2/h6-8H,5H2,1-4H3
InChIKeyRXLBZAWJXYJDMM-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.75
Rot. Bonds4

About ethyl 2-fluoro-2-(3-methoxy-2-methylphenyl)propanoate

ethyl 2-fluoro-2-(3-methoxy-2-methylphenyl)propanoate (PubChem CID 171559871) has the molecular formula C13H17FO3 and a molecular weight of 240.27 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(3-methoxy-2-methylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(3-methoxy-2-methylphenyl)propanoate
PubChem CID171559871
Molecular FormulaC13H17FO3
Molecular Weight240.27 g/mol
Exact Mass240.12
IUPAC Nameethyl 2-fluoro-2-(3-methoxy-2-methylphenyl)propanoate
SMILESCCOC(=O)C(C)(F)c1cccc(OC)c1C
InChIInChI=1S/C13H17FO3/c1-5-17-12(15)13(3,14)10-7-6-8-11(16-4)9(10)2/h6-8H,5H2,1-4H3
InChIKeyRXLBZAWJXYJDMM-UHFFFAOYSA-N
XLogP2.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 62214840
ethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 121014752
triethyl (2-methoxyphenyl)methanetricarboxylate
CID 15732418
ethyl 2-(2-methoxy-3-methylphenyl)-2-methylpropanoate
CID 105497849
ethyl 2-(3-chloro-2-methoxyphenyl)-2,2-difluoroacetate
CID 166132530
ethyl 3-(2-ethoxyphenyl)-2,2-difluoro-3-hydroxybutanoate
CID 62397772
ethyl 2,2-difluoro-3-(2-methoxyphenyl)-3-oxopropanoate
CID 55071398
ethyl 2-[2-(2-methoxyphenyl)propan-2-yl]-2-methylpentanoate
CID 141377256
ethyl 2-(2-methoxyphenyl)-2-(propan-2-ylamino)propanoate
CID 54918153
ethyl 2-methoxy-6-(trifluoromethoxy)benzoate
CID 170997101
ethyl 3-(2-chloro-6-methoxyphenyl)-2,2-difluoro-3-hydroxypropanoate
CID 104818468
ethyl 3-(2-ethoxyphenyl)-3-hydroxy-2,2-dimethylbutanoate
CID 62399004

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(3-methoxy-2-methylphenyl)propanoate?
The IUPAC name of ethyl 2-fluoro-2-(3-methoxy-2-methylphenyl)propanoate (CID 171559871) is ethyl 2-fluoro-2-(3-methoxy-2-methylphenyl)propanoate.
What is the SMILES notation for ethyl 2-fluoro-2-(3-methoxy-2-methylphenyl)propanoate?
The canonical SMILES for ethyl 2-fluoro-2-(3-methoxy-2-methylphenyl)propanoate is CCOC(=O)C(C)(F)c1cccc(OC)c1C.
What is the InChIKey of ethyl 2-fluoro-2-(3-methoxy-2-methylphenyl)propanoate?
The InChIKey is RXLBZAWJXYJDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO3/c1-5-17-12(15)13(3,14)10-7-6-8-11(16-4)9(10)2/h6-8H,5H2,1-4H3.
What are the key properties of ethyl 2-fluoro-2-(3-methoxy-2-methylphenyl)propanoate?
ethyl 2-fluoro-2-(3-methoxy-2-methylphenyl)propanoate has a molecular weight of 240.27 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(3-methoxy-2-methylphenyl)propanoate is sourced from PubChem (CID 171559871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).