3-ethyl-2-(methoxymethyl)benzoic acid

C11H14O3 — CID 177243799

IUPAC3-ethyl-2-(methoxymethyl)benzoic acid
SMILESCCc1cccc(C(=O)O)c1COC
InChIInChI=1S/C11H14O3/c1-3-8-5-4-6-9(11(12)13)10(8)7-14-2/h4-6H,3,7H2,1-2H3,(H,12,13)
InChIKeyGYWUQGLJHCUBEV-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.09
Rot. Bonds4

About 3-ethyl-2-(methoxymethyl)benzoic acid

3-ethyl-2-(methoxymethyl)benzoic acid (PubChem CID 177243799) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-ethyl-2-(methoxymethyl)benzoic acid.

Molecular Properties

Compound Name3-ethyl-2-(methoxymethyl)benzoic acid
PubChem CID177243799
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name3-ethyl-2-(methoxymethyl)benzoic acid
SMILESCCc1cccc(C(=O)O)c1COC
InChIInChI=1S/C11H14O3/c1-3-8-5-4-6-9(11(12)13)10(8)7-14-2/h4-6H,3,7H2,1-2H3,(H,12,13)
InChIKeyGYWUQGLJHCUBEV-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-2-(methoxymethyl)benzoic acid
CID 59838599
2-(bromomethyl)-3-ethylbenzoic acid
CID 66619635
2-ethyl-3-(hydroxymethyl)benzoic acid
CID 141102852
3-ethyl-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzoic acid
CID 126576153
methoxymethylbenzene;2-(methoxymethyl)benzoic acid
CID 175486457
2-ethylbenzoic acid;tungsten
CID 23518478
2-[2-(2,3-diethylbenzoyl)phenyl]benzoic acid
CID 175134431
2-ethyl-3-(3-hydroxypropyl)benzoic acid
CID 54146728
2-hydroxy-3,4-bis(methoxymethyl)benzoic acid
CID 174584016
2-ethyl-3-iodobenzoic acid
CID 22121847
3-amino-2-ethylbenzoic acid
CID 18185344
2-ethyl-3-fluorobenzoic acid
CID 52911005

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(methoxymethyl)benzoic acid?
The IUPAC name of 3-ethyl-2-(methoxymethyl)benzoic acid (CID 177243799) is 3-ethyl-2-(methoxymethyl)benzoic acid.
What is the SMILES notation for 3-ethyl-2-(methoxymethyl)benzoic acid?
The canonical SMILES for 3-ethyl-2-(methoxymethyl)benzoic acid is CCc1cccc(C(=O)O)c1COC.
What is the InChIKey of 3-ethyl-2-(methoxymethyl)benzoic acid?
The InChIKey is GYWUQGLJHCUBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-3-8-5-4-6-9(11(12)13)10(8)7-14-2/h4-6H,3,7H2,1-2H3,(H,12,13).
What are the key properties of 3-ethyl-2-(methoxymethyl)benzoic acid?
3-ethyl-2-(methoxymethyl)benzoic acid has a molecular weight of 194.23 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(methoxymethyl)benzoic acid is sourced from PubChem (CID 177243799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).