ethyl 2-(3-fluoro-4-methoxy-5-methylphenyl)acetate

C12H15FO3 — CID 171008666

IUPACethyl 2-(3-fluoro-4-methoxy-5-methylphenyl)acetate
SMILESCCOC(=O)Cc1cc(C)c(OC)c(F)c1
InChIInChI=1S/C12H15FO3/c1-4-16-11(14)7-9-5-8(2)12(15-3)10(13)6-9/h5-6H,4,7H2,1-3H3
InChIKeyIHGWBWVLGQGFJH-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.25
Rot. Bonds4

About ethyl 2-(3-fluoro-4-methoxy-5-methylphenyl)acetate

ethyl 2-(3-fluoro-4-methoxy-5-methylphenyl)acetate (PubChem CID 171008666) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is ethyl 2-(3-fluoro-4-methoxy-5-methylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-fluoro-4-methoxy-5-methylphenyl)acetate
PubChem CID171008666
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Nameethyl 2-(3-fluoro-4-methoxy-5-methylphenyl)acetate
SMILESCCOC(=O)Cc1cc(C)c(OC)c(F)c1
InChIInChI=1S/C12H15FO3/c1-4-16-11(14)7-9-5-8(2)12(15-3)10(13)6-9/h5-6H,4,7H2,1-3H3
InChIKeyIHGWBWVLGQGFJH-UHFFFAOYSA-N
XLogP2.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)acetate
CID 178032262
ethyl 2-(4-butoxy-3,5-difluorophenyl)acetate
CID 70827899
2-(4-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide
CID 116844882
ethyl 2-(3-chloro-5-fluoro-4-formylphenyl)acetate
CID 171005609
O-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]hydroxylamine
CID 117280138
ethyl 2-[4-(chloromethyl)-2-fluoro-6-methylphenyl]acetate
CID 171020315
ethyl 2-(4-fluoro-5-methoxy-2-methylphenyl)acetate
CID 171008387
ethyl 2-(2-fluoro-5-methoxy-4-methylphenyl)acetate
CID 171008386
2-(3-ethyl-4-methoxy-5-methylphenyl)acetamide
CID 143330540
ethyl 2-amino-3-(3,5-difluoro-4-methoxyphenyl)propanoate
CID 170885235
ethyl 2-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]acetate
CID 171030043
ethyl 2-[4-(chloromethyl)-2,6-difluorophenyl]acetate
CID 171020029

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-fluoro-4-methoxy-5-methylphenyl)acetate?
The IUPAC name of ethyl 2-(3-fluoro-4-methoxy-5-methylphenyl)acetate (CID 171008666) is ethyl 2-(3-fluoro-4-methoxy-5-methylphenyl)acetate.
What is the SMILES notation for ethyl 2-(3-fluoro-4-methoxy-5-methylphenyl)acetate?
The canonical SMILES for ethyl 2-(3-fluoro-4-methoxy-5-methylphenyl)acetate is CCOC(=O)Cc1cc(C)c(OC)c(F)c1.
What is the InChIKey of ethyl 2-(3-fluoro-4-methoxy-5-methylphenyl)acetate?
The InChIKey is IHGWBWVLGQGFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3/c1-4-16-11(14)7-9-5-8(2)12(15-3)10(13)6-9/h5-6H,4,7H2,1-3H3.
What are the key properties of ethyl 2-(3-fluoro-4-methoxy-5-methylphenyl)acetate?
ethyl 2-(3-fluoro-4-methoxy-5-methylphenyl)acetate has a molecular weight of 226.25 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-fluoro-4-methoxy-5-methylphenyl)acetate is sourced from PubChem (CID 171008666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).