2-[2-(3-ethyl-4-methoxyphenyl)-2-oxoethoxy]acetic acid

C13H16O5 — CID 71264426

IUPAC2-[2-(3-ethyl-4-methoxyphenyl)-2-oxoethoxy]acetic acid
SMILESCCc1cc(C(=O)COCC(=O)O)ccc1OC
InChIInChI=1S/C13H16O5/c1-3-9-6-10(4-5-12(9)17-2)11(14)7-18-8-13(15)16/h4-6H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyZUYMXVQTTFPXGW-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.54
Rot. Bonds7

About 2-[2-(3-ethyl-4-methoxyphenyl)-2-oxoethoxy]acetic acid

2-[2-(3-ethyl-4-methoxyphenyl)-2-oxoethoxy]acetic acid (PubChem CID 71264426) has the molecular formula C13H16O5 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[2-(3-ethyl-4-methoxyphenyl)-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(3-ethyl-4-methoxyphenyl)-2-oxoethoxy]acetic acid
PubChem CID71264426
Molecular FormulaC13H16O5
Molecular Weight252.27 g/mol
Exact Mass252.10
IUPAC Name2-[2-(3-ethyl-4-methoxyphenyl)-2-oxoethoxy]acetic acid
SMILESCCc1cc(C(=O)COCC(=O)O)ccc1OC
InChIInChI=1S/C13H16O5/c1-3-9-6-10(4-5-12(9)17-2)11(14)7-18-8-13(15)16/h4-6H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyZUYMXVQTTFPXGW-UHFFFAOYSA-N
XLogP1.54
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(3-ethyl-4-methoxyphenyl)-3-oxopropanoate
CID 95452456
4-(3-ethyl-4-methoxyphenyl)-3,3-dimethyl-4-oxobutanoic acid
CID 116918358
1-(3-ethyl-4-methoxyphenyl)-2-propylsulfanylethanone
CID 82054156
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
2-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethoxy]acetic acid
CID 61327591
2-[4-(2-bromoacetyl)-2-methoxyphenoxy]acetic acid
CID 140988709
1-(3-ethyl-4-methoxyphenyl)-2-piperazin-1-ylethanone
CID 95468407
2-(3-ethyl-4-methoxybenzoyl)butanenitrile
CID 116923692
[2-[4-methoxy-3-(methoxymethyl)phenyl]-2-oxoethyl] methanesulfonate
CID 87402975
[4-(3-ethyl-4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 110802032
2-(4-hexanoyl-2-methoxyphenoxy)acetic acid
CID 154164462
2-[5-[2-(2-chlorophenyl)acetyl]-2-methoxyphenyl]acetic acid
CID 70494068

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethyl-4-methoxyphenyl)-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-(3-ethyl-4-methoxyphenyl)-2-oxoethoxy]acetic acid (CID 71264426) is 2-[2-(3-ethyl-4-methoxyphenyl)-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-(3-ethyl-4-methoxyphenyl)-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-(3-ethyl-4-methoxyphenyl)-2-oxoethoxy]acetic acid is CCc1cc(C(=O)COCC(=O)O)ccc1OC.
What is the InChIKey of 2-[2-(3-ethyl-4-methoxyphenyl)-2-oxoethoxy]acetic acid?
The InChIKey is ZUYMXVQTTFPXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O5/c1-3-9-6-10(4-5-12(9)17-2)11(14)7-18-8-13(15)16/h4-6H,3,7-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[2-(3-ethyl-4-methoxyphenyl)-2-oxoethoxy]acetic acid?
2-[2-(3-ethyl-4-methoxyphenyl)-2-oxoethoxy]acetic acid has a molecular weight of 252.27 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethyl-4-methoxyphenyl)-2-oxoethoxy]acetic acid is sourced from PubChem (CID 71264426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).