2-methoxy-4-[3-(2-methoxyethoxy)propoxymethyl]benzoic acid

C15H22O6 — CID 106794181

IUPAC2-methoxy-4-[3-(2-methoxyethoxy)propoxymethyl]benzoic acid
SMILESCOCCOCCCOCc1ccc(C(=O)O)c(OC)c1
InChIInChI=1S/C15H22O6/c1-18-8-9-20-6-3-7-21-11-12-4-5-13(15(16)17)14(10-12)19-2/h4-5,10H,3,6-9,11H2,1-2H3,(H,16,17)
InChIKeyRUHJDZIJQWSRAM-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.96
Rot. Bonds11

About 2-methoxy-4-[3-(2-methoxyethoxy)propoxymethyl]benzoic acid

2-methoxy-4-[3-(2-methoxyethoxy)propoxymethyl]benzoic acid (PubChem CID 106794181) has the molecular formula C15H22O6 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-methoxy-4-[3-(2-methoxyethoxy)propoxymethyl]benzoic acid.

Molecular Properties

Compound Name2-methoxy-4-[3-(2-methoxyethoxy)propoxymethyl]benzoic acid
PubChem CID106794181
Molecular FormulaC15H22O6
Molecular Weight298.34 g/mol
Exact Mass298.14
IUPAC Name2-methoxy-4-[3-(2-methoxyethoxy)propoxymethyl]benzoic acid
SMILESCOCCOCCCOCc1ccc(C(=O)O)c(OC)c1
InChIInChI=1S/C15H22O6/c1-18-8-9-20-6-3-7-21-11-12-4-5-13(15(16)17)14(10-12)19-2/h4-5,10H,3,6-9,11H2,1-2H3,(H,16,17)
InChIKeyRUHJDZIJQWSRAM-UHFFFAOYSA-N
XLogP1.96
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.96
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

2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoic acid
CID 106698537
2-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]benzoic acid
CID 106794153
N'-hydroxy-2-methoxy-4-(3-methoxypropoxymethyl)benzenecarboximidamide
CID 106790372
2-methoxy-5-(2-propoxyethoxymethyl)benzoic acid
CID 65339096
2-methoxy-4-[[3-methoxypropyl(methyl)amino]methyl]benzoic acid
CID 106793619
4-ethyl-2-methoxybenzoic acid
CID 18687349
[2-methoxy-5-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methanamine
CID 103401488
methyl 2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoate
CID 106698538
4-[(4,4-dimethylcyclohexyl)oxymethyl]-2-methoxybenzoic acid
CID 106794169
2-bromo-1-methoxy-4-[2-(3-methoxypropoxy)ethoxymethyl]benzene
CID 103179412
2-methoxy-5-[3-(2-methoxyethoxy)propoxymethyl]benzonitrile
CID 103402474
2-methoxy-4-(oxan-2-ylmethoxymethyl)benzoic acid
CID 106793954

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[3-(2-methoxyethoxy)propoxymethyl]benzoic acid?
The IUPAC name of 2-methoxy-4-[3-(2-methoxyethoxy)propoxymethyl]benzoic acid (CID 106794181) is 2-methoxy-4-[3-(2-methoxyethoxy)propoxymethyl]benzoic acid.
What is the SMILES notation for 2-methoxy-4-[3-(2-methoxyethoxy)propoxymethyl]benzoic acid?
The canonical SMILES for 2-methoxy-4-[3-(2-methoxyethoxy)propoxymethyl]benzoic acid is COCCOCCCOCc1ccc(C(=O)O)c(OC)c1.
What is the InChIKey of 2-methoxy-4-[3-(2-methoxyethoxy)propoxymethyl]benzoic acid?
The InChIKey is RUHJDZIJQWSRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O6/c1-18-8-9-20-6-3-7-21-11-12-4-5-13(15(16)17)14(10-12)19-2/h4-5,10H,3,6-9,11H2,1-2H3,(H,16,17).
What are the key properties of 2-methoxy-4-[3-(2-methoxyethoxy)propoxymethyl]benzoic acid?
2-methoxy-4-[3-(2-methoxyethoxy)propoxymethyl]benzoic acid has a molecular weight of 298.34 g/mol, XLogP of 1.96, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[3-(2-methoxyethoxy)propoxymethyl]benzoic acid is sourced from PubChem (CID 106794181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).