2-(3-ethyl-2-methylphenoxy)acetic acid

C11H14O3 — CID 165357581

IUPAC2-(3-ethyl-2-methylphenoxy)acetic acid
SMILESCCc1cccc(OCC(=O)O)c1C
InChIInChI=1S/C11H14O3/c1-3-9-5-4-6-10(8(9)2)14-7-11(12)13/h4-6H,3,7H2,1-2H3,(H,12,13)
InChIKeyGDEAVTYPAJZIJF-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.02
Rot. Bonds4

About 2-(3-ethyl-2-methylphenoxy)acetic acid

2-(3-ethyl-2-methylphenoxy)acetic acid (PubChem CID 165357581) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(3-ethyl-2-methylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(3-ethyl-2-methylphenoxy)acetic acid
PubChem CID165357581
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-(3-ethyl-2-methylphenoxy)acetic acid
SMILESCCc1cccc(OCC(=O)O)c1C
InChIInChI=1S/C11H14O3/c1-3-9-5-4-6-10(8(9)2)14-7-11(12)13/h4-6H,3,7H2,1-2H3,(H,12,13)
InChIKeyGDEAVTYPAJZIJF-UHFFFAOYSA-N
XLogP2.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-ethyl-3-methyl-1-benzothiophen-4-yl)oxy]acetic acid
CID 142104664
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
CID 121199307
2-[3-(diphenylcarbamoyloxymethyl)-2-methylphenoxy]acetic acid;2-[3-(hydroxymethyl)-2-methylphenoxy]acetic acid
CID 158303824
2-(2-amino-3-methylphenoxy)acetic acid
CID 61261601
2-[2-(fluoromethyl)phenoxy]acetic acid
CID 70537240
2-[2-(aminomethyl)phenoxy]acetic acid
CID 15103326
2-[2-(hydrazinylmethyl)phenoxy]acetic acid
CID 130403139
2-(2,3-dichlorophenoxy)acetic acid;ethanol
CID 174851678
2-(2-dodecylphenoxy)acetic acid
CID 572415
2-(2,3-dimethyl-4-propanoylphenoxy)acetic acid
CID 53318156
2-[2-(2-aminopropyl)phenoxy]acetic acid
CID 170890895
ethane;1-ethyl-3-hexoxy-2-methylbenzene;propane
CID 145227676

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-methylphenoxy)acetic acid?
The IUPAC name of 2-(3-ethyl-2-methylphenoxy)acetic acid (CID 165357581) is 2-(3-ethyl-2-methylphenoxy)acetic acid.
What is the SMILES notation for 2-(3-ethyl-2-methylphenoxy)acetic acid?
The canonical SMILES for 2-(3-ethyl-2-methylphenoxy)acetic acid is CCc1cccc(OCC(=O)O)c1C.
What is the InChIKey of 2-(3-ethyl-2-methylphenoxy)acetic acid?
The InChIKey is GDEAVTYPAJZIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-3-9-5-4-6-10(8(9)2)14-7-11(12)13/h4-6H,3,7H2,1-2H3,(H,12,13).
What are the key properties of 2-(3-ethyl-2-methylphenoxy)acetic acid?
2-(3-ethyl-2-methylphenoxy)acetic acid has a molecular weight of 194.23 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-methylphenoxy)acetic acid is sourced from PubChem (CID 165357581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).