3-ethoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzoic acid

C15H22O5 — CID 115942755

IUPAC3-ethoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzoic acid
SMILESCCOc1cccc(C(=O)O)c1OCCOC(C)(C)C
InChIInChI=1S/C15H22O5/c1-5-18-12-8-6-7-11(14(16)17)13(12)19-9-10-20-15(2,3)4/h6-8H,5,9-10H2,1-4H3,(H,16,17)
InChIKeyGWZXABCFEPQMLJ-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.98
Rot. Bonds7

About 3-ethoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzoic acid

3-ethoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzoic acid (PubChem CID 115942755) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-ethoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzoic acid.

Molecular Properties

Compound Name3-ethoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzoic acid
PubChem CID115942755
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name3-ethoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzoic acid
SMILESCCOc1cccc(C(=O)O)c1OCCOC(C)(C)C
InChIInChI=1S/C15H22O5/c1-5-18-12-8-6-7-11(14(16)17)13(12)19-9-10-20-15(2,3)4/h6-8H,5,9-10H2,1-4H3,(H,16,17)
InChIKeyGWZXABCFEPQMLJ-UHFFFAOYSA-N
XLogP2.98
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
3-ethoxy-2-[2-(3-methylbutoxy)ethoxy]benzoic acid
CID 61484674
3-ethoxy-2-(2-hydroxypropoxy)benzoic acid
CID 60884976
3-ethoxy-2-hydroxybenzoic acid
CID 13026922
2-(3-hydroxy-3-methylbutoxy)-3-methoxybenzoic acid
CID 79359631
2-ethoxybenzoic acid;zinc
CID 172723273
2,3-bis(2-ethoxy-2-oxoethoxy)benzoic acid
CID 18471117
3-ethoxy-2-pentan-2-yloxybenzoic acid
CID 107890294
potassium;2-ethoxybenzoic acid;hydride
CID 175278645
2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-3-ethoxybenzoic acid
CID 61488462

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzoic acid?
The IUPAC name of 3-ethoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzoic acid (CID 115942755) is 3-ethoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzoic acid.
What is the SMILES notation for 3-ethoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzoic acid?
The canonical SMILES for 3-ethoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzoic acid is CCOc1cccc(C(=O)O)c1OCCOC(C)(C)C.
What is the InChIKey of 3-ethoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzoic acid?
The InChIKey is GWZXABCFEPQMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-5-18-12-8-6-7-11(14(16)17)13(12)19-9-10-20-15(2,3)4/h6-8H,5,9-10H2,1-4H3,(H,16,17).
What are the key properties of 3-ethoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzoic acid?
3-ethoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzoic acid has a molecular weight of 282.34 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzoic acid is sourced from PubChem (CID 115942755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).