3-ethoxy-2-pentan-2-yloxybenzoic acid

C14H20O4 — CID 107890294

IUPAC3-ethoxy-2-pentan-2-yloxybenzoic acid
SMILESCCCC(C)Oc1c(OCC)cccc1C(=O)O
InChIInChI=1S/C14H20O4/c1-4-7-10(3)18-13-11(14(15)16)8-6-9-12(13)17-5-2/h6,8-10H,4-5,7H2,1-3H3,(H,15,16)
InChIKeyGWSNDLLJJQYBQL-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.35
Rot. Bonds7

About 3-ethoxy-2-pentan-2-yloxybenzoic acid

3-ethoxy-2-pentan-2-yloxybenzoic acid (PubChem CID 107890294) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-ethoxy-2-pentan-2-yloxybenzoic acid.

Molecular Properties

Compound Name3-ethoxy-2-pentan-2-yloxybenzoic acid
PubChem CID107890294
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name3-ethoxy-2-pentan-2-yloxybenzoic acid
SMILESCCCC(C)Oc1c(OCC)cccc1C(=O)O
InChIInChI=1S/C14H20O4/c1-4-7-10(3)18-13-11(14(15)16)8-6-9-12(13)17-5-2/h6,8-10H,4-5,7H2,1-3H3,(H,15,16)
InChIKeyGWSNDLLJJQYBQL-UHFFFAOYSA-N
XLogP3.35
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-2-pentan-2-yloxybenzoic acid
CID 102980945
3-ethoxy-2-(2-hydroxypropoxy)benzoic acid
CID 60884976
3-ethoxy-2-[2-(3-methylbutoxy)ethoxy]benzoic acid
CID 61484674
2-pentan-2-yloxypyridine-3-carboxylic acid
CID 102980912
3-ethoxy-2-hydroxybenzoic acid
CID 13026922
2-(3,3-dimethylbutoxy)-3-ethoxybenzoic acid
CID 61481125
2-(2-carboxy-2-methylpropoxy)-3-ethoxybenzoic acid
CID 79624013
3-ethoxy-2-(2-phenylethoxy)benzoic acid
CID 43366597
2-ethoxybenzoic acid;zinc
CID 172723273
3-ethoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzoic acid
CID 115942755
potassium;2-ethoxybenzoic acid;hydride
CID 175278645
2-[(2R)-octan-2-yl]oxybenzoic acid
CID 29003628

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-pentan-2-yloxybenzoic acid?
The IUPAC name of 3-ethoxy-2-pentan-2-yloxybenzoic acid (CID 107890294) is 3-ethoxy-2-pentan-2-yloxybenzoic acid.
What is the SMILES notation for 3-ethoxy-2-pentan-2-yloxybenzoic acid?
The canonical SMILES for 3-ethoxy-2-pentan-2-yloxybenzoic acid is CCCC(C)Oc1c(OCC)cccc1C(=O)O.
What is the InChIKey of 3-ethoxy-2-pentan-2-yloxybenzoic acid?
The InChIKey is GWSNDLLJJQYBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-4-7-10(3)18-13-11(14(15)16)8-6-9-12(13)17-5-2/h6,8-10H,4-5,7H2,1-3H3,(H,15,16).
What are the key properties of 3-ethoxy-2-pentan-2-yloxybenzoic acid?
3-ethoxy-2-pentan-2-yloxybenzoic acid has a molecular weight of 252.31 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-pentan-2-yloxybenzoic acid is sourced from PubChem (CID 107890294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).