2-(2-propan-2-yloxyethoxy)benzoic acid

C12H16O4 — CID 28604902

IUPAC2-(2-propan-2-yloxyethoxy)benzoic acid
SMILESCC(C)OCCOc1ccccc1C(=O)O
InChIInChI=1S/C12H16O4/c1-9(2)15-7-8-16-11-6-4-3-5-10(11)12(13)14/h3-6,9H,7-8H2,1-2H3,(H,13,14)
InChIKeyGOYXHTAHUMUVOF-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.19
Rot. Bonds6

About 2-(2-propan-2-yloxyethoxy)benzoic acid

2-(2-propan-2-yloxyethoxy)benzoic acid (PubChem CID 28604902) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(2-propan-2-yloxyethoxy)benzoic acid.

Molecular Properties

Compound Name2-(2-propan-2-yloxyethoxy)benzoic acid
PubChem CID28604902
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name2-(2-propan-2-yloxyethoxy)benzoic acid
SMILESCC(C)OCCOc1ccccc1C(=O)O
InChIInChI=1S/C12H16O4/c1-9(2)15-7-8-16-11-6-4-3-5-10(11)12(13)14/h3-6,9H,7-8H2,1-2H3,(H,13,14)
InChIKeyGOYXHTAHUMUVOF-UHFFFAOYSA-N
XLogP2.19
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-propan-2-yloxyethylamino)ethoxy]benzoic acid
CID 103266487
2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
CID 2215647
2-[2-(2-propan-2-yloxyethoxy)phenyl]acetic acid
CID 80741080
2-[(4S)-4-methylhexoxy]benzoic acid
CID 67783867
2-[2-(3-methylbutoxy)ethoxy]benzoic acid
CID 43532277
1-[2-[2-(1-phenylethoxy)ethoxy]phenyl]ethanone
CID 62031613
2-(18-methylnonadecoxy)benzoic acid
CID 172718399
2-(8-methylnonoxy)benzoic acid
CID 22075682
2-(2-propan-2-yloxyethoxy)phenol
CID 61484898
2-butoxybenzoic acid;carbonic acid
CID 137455653
2-[2-(4-ethoxyphenoxy)ethoxy]benzoic acid
CID 20992517
2-(2-propanoyloxyethoxy)benzoic acid
CID 141005328

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yloxyethoxy)benzoic acid?
The IUPAC name of 2-(2-propan-2-yloxyethoxy)benzoic acid (CID 28604902) is 2-(2-propan-2-yloxyethoxy)benzoic acid.
What is the SMILES notation for 2-(2-propan-2-yloxyethoxy)benzoic acid?
The canonical SMILES for 2-(2-propan-2-yloxyethoxy)benzoic acid is CC(C)OCCOc1ccccc1C(=O)O.
What is the InChIKey of 2-(2-propan-2-yloxyethoxy)benzoic acid?
The InChIKey is GOYXHTAHUMUVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-9(2)15-7-8-16-11-6-4-3-5-10(11)12(13)14/h3-6,9H,7-8H2,1-2H3,(H,13,14).
What are the key properties of 2-(2-propan-2-yloxyethoxy)benzoic acid?
2-(2-propan-2-yloxyethoxy)benzoic acid has a molecular weight of 224.26 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yloxyethoxy)benzoic acid is sourced from PubChem (CID 28604902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).