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

C14H20O6 — CID 103408909

IUPAC3-methoxy-4-[3-(2-methoxyethoxy)propoxy]benzoic acid
SMILESCOCCOCCCOc1ccc(C(=O)O)cc1OC
InChIInChI=1S/C14H20O6/c1-17-8-9-19-6-3-7-20-12-5-4-11(14(15)16)10-13(12)18-2/h4-5,10H,3,6-9H2,1-2H3,(H,15,16)
InChIKeyNGKKNMZCQSXVJU-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.83
Rot. Bonds10

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

3-methoxy-4-[3-(2-methoxyethoxy)propoxy]benzoic acid (PubChem CID 103408909) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-methoxy-4-[3-(2-methoxyethoxy)propoxy]benzoic acid.

Molecular Properties

Compound Name3-methoxy-4-[3-(2-methoxyethoxy)propoxy]benzoic acid
PubChem CID103408909
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name3-methoxy-4-[3-(2-methoxyethoxy)propoxy]benzoic acid
SMILESCOCCOCCCOc1ccc(C(=O)O)cc1OC
InChIInChI=1S/C14H20O6/c1-17-8-9-19-6-3-7-20-12-5-4-11(14(15)16)10-13(12)18-2/h4-5,10H,3,6-9H2,1-2H3,(H,15,16)
InChIKeyNGKKNMZCQSXVJU-UHFFFAOYSA-N
XLogP1.83
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
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

4-[3-(4-carboxy-2-methoxyphenoxy)propoxy]-3-methoxybenzoic acid
CID 11132553
4-(3-ethoxypropoxy)-3-methoxybenzoic acid
CID 65175954
4-[5-(4-carboxy-2-methoxyphenoxy)pentoxy]-3-methoxybenzoic acid
CID 15329160
3-[2-(3-methoxypropoxy)ethoxy]-4-methylbenzoic acid
CID 103177358
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]ethanone
CID 60778711
methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate
CID 15167932
3-amino-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoic acid
CID 104564096
3-methoxy-4-(4-methoxy-4-oxobutoxy)benzoic acid
CID 43378064
4-(3-ethylsulfonylpropoxy)-3-methoxybenzoic acid
CID 65093653
methane;4-methoxy-3-(3-methoxypropoxy)benzoic acid;4-methoxy-3-(3-methoxypropoxy)benzoyl chloride
CID 157266381
4-(3-methoxypropoxy)-3-methylbenzoic acid
CID 62703570
3-ethoxy-4-(4-methoxybutoxy)benzoic acid
CID 104647711

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[3-(2-methoxyethoxy)propoxy]benzoic acid?
The IUPAC name of 3-methoxy-4-[3-(2-methoxyethoxy)propoxy]benzoic acid (CID 103408909) is 3-methoxy-4-[3-(2-methoxyethoxy)propoxy]benzoic acid.
What is the SMILES notation for 3-methoxy-4-[3-(2-methoxyethoxy)propoxy]benzoic acid?
The canonical SMILES for 3-methoxy-4-[3-(2-methoxyethoxy)propoxy]benzoic acid is COCCOCCCOc1ccc(C(=O)O)cc1OC.
What is the InChIKey of 3-methoxy-4-[3-(2-methoxyethoxy)propoxy]benzoic acid?
The InChIKey is NGKKNMZCQSXVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O6/c1-17-8-9-19-6-3-7-20-12-5-4-11(14(15)16)10-13(12)18-2/h4-5,10H,3,6-9H2,1-2H3,(H,15,16).
What are the key properties of 3-methoxy-4-[3-(2-methoxyethoxy)propoxy]benzoic acid?
3-methoxy-4-[3-(2-methoxyethoxy)propoxy]benzoic acid has a molecular weight of 284.31 g/mol, XLogP of 1.83, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[3-(2-methoxyethoxy)propoxy]benzoic acid is sourced from PubChem (CID 103408909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).