3-[3-(2-propan-2-yloxyethoxy)propoxy]benzoic acid

C15H22O5 — CID 63073446

IUPAC3-[3-(2-propan-2-yloxyethoxy)propoxy]benzoic acid
SMILESCC(C)OCCOCCCOc1cccc(C(=O)O)c1
InChIInChI=1S/C15H22O5/c1-12(2)19-10-9-18-7-4-8-20-14-6-3-5-13(11-14)15(16)17/h3,5-6,11-12H,4,7-10H2,1-2H3,(H,16,17)
InChIKeyRLVBNUCOUOPRBK-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.60
Rot. Bonds10

About 3-[3-(2-propan-2-yloxyethoxy)propoxy]benzoic acid

3-[3-(2-propan-2-yloxyethoxy)propoxy]benzoic acid (PubChem CID 63073446) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-[3-(2-propan-2-yloxyethoxy)propoxy]benzoic acid.

Molecular Properties

Compound Name3-[3-(2-propan-2-yloxyethoxy)propoxy]benzoic acid
PubChem CID63073446
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name3-[3-(2-propan-2-yloxyethoxy)propoxy]benzoic acid
SMILESCC(C)OCCOCCCOc1cccc(C(=O)O)c1
InChIInChI=1S/C15H22O5/c1-12(2)19-10-9-18-7-4-8-20-14-6-3-5-13(11-14)15(16)17/h3,5-6,11-12H,4,7-10H2,1-2H3,(H,16,17)
InChIKeyRLVBNUCOUOPRBK-UHFFFAOYSA-N
XLogP2.60
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.60
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

3-[3-(2-methoxyethoxy)propoxy]benzoic acid
CID 63073270
3-[3-(2-propan-2-yloxyethoxy)propoxy]benzenecarbothioamide
CID 43291189
3-(3-heptoxypropoxy)benzoic acid
CID 63530132
3-[2-(1-methoxyethoxy)ethoxy]benzoic acid
CID 18784841
3-[4-(4-propan-2-ylphenoxy)butoxy]benzoic acid
CID 82097997
3-[2-oxo-2-(3-propan-2-yloxypropylamino)ethoxy]benzoic acid
CID 43214917
3-[3-(4-methylphenoxy)propoxy]benzoic acid
CID 63072752
3-[3-(cyclopropylmethoxy)propoxy]benzoic acid
CID 55180706
3-[2-[butan-2-yl(methyl)amino]ethoxy]benzoic acid
CID 43532634
3-[2-(cyclopropylmethoxy)ethoxy]benzoic acid
CID 43532308
3-[3-[methyl(3-methylbutan-2-yl)amino]propoxy]benzoic acid
CID 63067760
3-[3-[methyl(2-methylpropyl)amino]propoxy]benzoic acid
CID 63069312

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-propan-2-yloxyethoxy)propoxy]benzoic acid?
The IUPAC name of 3-[3-(2-propan-2-yloxyethoxy)propoxy]benzoic acid (CID 63073446) is 3-[3-(2-propan-2-yloxyethoxy)propoxy]benzoic acid.
What is the SMILES notation for 3-[3-(2-propan-2-yloxyethoxy)propoxy]benzoic acid?
The canonical SMILES for 3-[3-(2-propan-2-yloxyethoxy)propoxy]benzoic acid is CC(C)OCCOCCCOc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[3-(2-propan-2-yloxyethoxy)propoxy]benzoic acid?
The InChIKey is RLVBNUCOUOPRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-12(2)19-10-9-18-7-4-8-20-14-6-3-5-13(11-14)15(16)17/h3,5-6,11-12H,4,7-10H2,1-2H3,(H,16,17).
What are the key properties of 3-[3-(2-propan-2-yloxyethoxy)propoxy]benzoic acid?
3-[3-(2-propan-2-yloxyethoxy)propoxy]benzoic acid has a molecular weight of 282.34 g/mol, XLogP of 2.60, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-propan-2-yloxyethoxy)propoxy]benzoic acid is sourced from PubChem (CID 63073446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).