ethyl 2-(2-acetyl-5-methoxyphenoxy)propanoate

C14H18O5 — CID 15267098

IUPACethyl 2-(2-acetyl-5-methoxyphenoxy)propanoate
SMILESCCOC(=O)C(C)Oc1cc(OC)ccc1C(C)=O
InChIInChI=1S/C14H18O5/c1-5-18-14(16)10(3)19-13-8-11(17-4)6-7-12(13)9(2)15/h6-8,10H,5H2,1-4H3
InChIKeyXCLMEJLVOALPEM-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.23
Rot. Bonds6

About ethyl 2-(2-acetyl-5-methoxyphenoxy)propanoate

ethyl 2-(2-acetyl-5-methoxyphenoxy)propanoate (PubChem CID 15267098) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is ethyl 2-(2-acetyl-5-methoxyphenoxy)propanoate.

Molecular Properties

Compound Nameethyl 2-(2-acetyl-5-methoxyphenoxy)propanoate
PubChem CID15267098
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Nameethyl 2-(2-acetyl-5-methoxyphenoxy)propanoate
SMILESCCOC(=O)C(C)Oc1cc(OC)ccc1C(C)=O
InChIInChI=1S/C14H18O5/c1-5-18-14(16)10(3)19-13-8-11(17-4)6-7-12(13)9(2)15/h6-8,10H,5H2,1-4H3
InChIKeyXCLMEJLVOALPEM-UHFFFAOYSA-N
XLogP2.23
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxy-2-pentan-3-yloxyphenyl)ethanone
CID 82001376
2-(2-acetyl-5-methoxyphenoxy)-N-butan-2-ylpropanamide
CID 115279935
(2S)-2-(2-acetyl-5-methoxyphenoxy)-N-propan-2-ylpropanamide
CID 32886949
ethyl (2S)-2-(4-methoxyphenoxy)propanoate
CID 94606551
2-(2-acetyl-5-methoxyphenoxy)-N-cyclopropylpropanamide
CID 78906259
2-(2-acetyl-5-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51233960
diethyl 2-(2,4-dimethoxyphenyl)propanedioate
CID 13193850
diethyl 2-methylpropanedioate;1,4-dimethoxybenzene
CID 174542706
propyl 2-(2-acetylphenoxy)propanoate
CID 82312026
(NE)-N-[1-(4-methoxy-2-propan-2-yloxyphenyl)ethylidene]hydroxylamine
CID 82001380
ethyl (2R)-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 1184521
2-[2-(aminomethyl)-5-methoxyphenoxy]propanamide
CID 61269245

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-acetyl-5-methoxyphenoxy)propanoate?
The IUPAC name of ethyl 2-(2-acetyl-5-methoxyphenoxy)propanoate (CID 15267098) is ethyl 2-(2-acetyl-5-methoxyphenoxy)propanoate.
What is the SMILES notation for ethyl 2-(2-acetyl-5-methoxyphenoxy)propanoate?
The canonical SMILES for ethyl 2-(2-acetyl-5-methoxyphenoxy)propanoate is CCOC(=O)C(C)Oc1cc(OC)ccc1C(C)=O.
What is the InChIKey of ethyl 2-(2-acetyl-5-methoxyphenoxy)propanoate?
The InChIKey is XCLMEJLVOALPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-5-18-14(16)10(3)19-13-8-11(17-4)6-7-12(13)9(2)15/h6-8,10H,5H2,1-4H3.
What are the key properties of ethyl 2-(2-acetyl-5-methoxyphenoxy)propanoate?
ethyl 2-(2-acetyl-5-methoxyphenoxy)propanoate has a molecular weight of 266.29 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-acetyl-5-methoxyphenoxy)propanoate is sourced from PubChem (CID 15267098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).