3,4-bis(methoxymethoxy)benzoic acid

C11H14O6 — CID 10421835

IUPAC3,4-bis(methoxymethoxy)benzoic acid
SMILESCOCOc1ccc(C(=O)O)cc1OCOC
InChIInChI=1S/C11H14O6/c1-14-6-16-9-4-3-8(11(12)13)5-10(9)17-7-15-2/h3-5H,6-7H2,1-2H3,(H,12,13)
InChIKeyRPXJIJXOAQZKFO-UHFFFAOYSA-N
MW242.23 g/mol
LogP1.35
Rot. Bonds7

About 3,4-bis(methoxymethoxy)benzoic acid

3,4-bis(methoxymethoxy)benzoic acid (PubChem CID 10421835) has the molecular formula C11H14O6 and a molecular weight of 242.23 g/mol. Its IUPAC name is 3,4-bis(methoxymethoxy)benzoic acid.

Molecular Properties

Compound Name3,4-bis(methoxymethoxy)benzoic acid
PubChem CID10421835
Molecular FormulaC11H14O6
Molecular Weight242.23 g/mol
Exact Mass242.08
IUPAC Name3,4-bis(methoxymethoxy)benzoic acid
SMILESCOCOc1ccc(C(=O)O)cc1OCOC
InChIInChI=1S/C11H14O6/c1-14-6-16-9-4-3-8(11(12)13)5-10(9)17-7-15-2/h3-5H,6-7H2,1-2H3,(H,12,13)
InChIKeyRPXJIJXOAQZKFO-UHFFFAOYSA-N
XLogP1.35
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-bromo-3-(methoxymethoxy)benzoic acid
CID 69238735
4-(methoxymethoxy)-3-propan-2-ylbenzoic acid
CID 164892352
3,4-bis[2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]benzoic acid
CID 142209148
3-ethoxy-4-(4-methoxybutoxy)benzoic acid
CID 104647711
4-[5-(4-carboxy-2-methoxyphenoxy)pentoxy]-3-methoxybenzoic acid
CID 15329160
4-[3-(4-carboxy-2-methoxyphenoxy)propoxy]-3-methoxybenzoic acid
CID 11132553
4-(hydroxymethoxy)-3-methoxybenzoic acid
CID 142628335
3,4-di(tridecoxy)benzoic acid
CID 66940296
3,4-dimethoxybenzoic acid;methanol
CID 144580050
4-(2-methoxyethoxy)-3-methylbenzoic acid
CID 58551370
4-[2-fluoro-6-(methoxymethoxy)-3-methylbenzoyl]benzoic acid
CID 54034461
3-ethoxy-4-(2-hydroxy-3-methoxypropoxy)benzoic acid
CID 63928186

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(methoxymethoxy)benzoic acid?
The IUPAC name of 3,4-bis(methoxymethoxy)benzoic acid (CID 10421835) is 3,4-bis(methoxymethoxy)benzoic acid.
What is the SMILES notation for 3,4-bis(methoxymethoxy)benzoic acid?
The canonical SMILES for 3,4-bis(methoxymethoxy)benzoic acid is COCOc1ccc(C(=O)O)cc1OCOC.
What is the InChIKey of 3,4-bis(methoxymethoxy)benzoic acid?
The InChIKey is RPXJIJXOAQZKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O6/c1-14-6-16-9-4-3-8(11(12)13)5-10(9)17-7-15-2/h3-5H,6-7H2,1-2H3,(H,12,13).
What are the key properties of 3,4-bis(methoxymethoxy)benzoic acid?
3,4-bis(methoxymethoxy)benzoic acid has a molecular weight of 242.23 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(methoxymethoxy)benzoic acid is sourced from PubChem (CID 10421835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).