4-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]benzoic acid

C15H22O6 — CID 103175922

IUPAC4-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]benzoic acid
SMILESCOCCCOCCOCCOc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H22O6/c1-18-7-2-8-19-9-10-20-11-12-21-14-5-3-13(4-6-14)15(16)17/h3-6H,2,7-12H2,1H3,(H,16,17)
InChIKeyWWFSDGIAPKLFKW-UHFFFAOYSA-N
MW298.33 g/mol
LogP1.83
Rot. Bonds12

About 4-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]benzoic acid

4-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]benzoic acid (PubChem CID 103175922) has the molecular formula C15H22O6 and a molecular weight of 298.33 g/mol. Its IUPAC name is 4-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]benzoic acid.

Molecular Properties

Compound Name4-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]benzoic acid
PubChem CID103175922
Molecular FormulaC15H22O6
Molecular Weight298.33 g/mol
Exact Mass298.14
IUPAC Name4-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]benzoic acid
SMILESCOCCCOCCOCCOc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H22O6/c1-18-7-2-8-19-9-10-20-11-12-21-14-5-3-13(4-6-14)15(16)17/h3-6H,2,7-12H2,1H3,(H,16,17)
InChIKeyWWFSDGIAPKLFKW-UHFFFAOYSA-N
XLogP1.83
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzoic acid;bis(4-(2-methoxyethoxy)benzoic acid)
CID 91308161
4-[[4-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]methoxy]benzoic acid
CID 102343472
methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 104560522
4-[2-(4,4,4-trifluorobutoxy)ethoxy]benzoic acid
CID 82788697
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-[1,2,2-tris[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzene
CID 102529965
3-[2-(3-methoxypropoxy)ethoxy]-4-methylbenzoic acid
CID 103177358
4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoic acid
CID 58645066
3-[3-(2-methoxyethoxy)propoxy]benzoic acid
CID 63073270
ethyl 4-[3-(2-methoxyethoxy)propoxy]benzoate
CID 103408920
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzoyl chloride
CID 141339492
4-[10-[10-(10-bromodecoxy)decoxy]decoxy]benzoic acid
CID 86092221
4-[2-(4-bromophenoxy)ethoxy]benzoic acid
CID 20984535

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]benzoic acid?
The IUPAC name of 4-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]benzoic acid (CID 103175922) is 4-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]benzoic acid.
What is the SMILES notation for 4-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]benzoic acid?
The canonical SMILES for 4-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]benzoic acid is COCCCOCCOCCOc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]benzoic acid?
The InChIKey is WWFSDGIAPKLFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O6/c1-18-7-2-8-19-9-10-20-11-12-21-14-5-3-13(4-6-14)15(16)17/h3-6H,2,7-12H2,1H3,(H,16,17).
What are the key properties of 4-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]benzoic acid?
4-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]benzoic acid has a molecular weight of 298.33 g/mol, XLogP of 1.83, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]benzoic acid is sourced from PubChem (CID 103175922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).