3-methoxy-2-(methoxymethyl)benzoic acid

C10H12O4 — CID 59838599

IUPAC3-methoxy-2-(methoxymethyl)benzoic acid
SMILESCOCc1c(OC)cccc1C(=O)O
InChIInChI=1S/C10H12O4/c1-13-6-8-7(10(11)12)4-3-5-9(8)14-2/h3-5H,6H2,1-2H3,(H,11,12)
InChIKeyZVAMGZPTTRKONV-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.54
Rot. Bonds4

About 3-methoxy-2-(methoxymethyl)benzoic acid

3-methoxy-2-(methoxymethyl)benzoic acid (PubChem CID 59838599) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 3-methoxy-2-(methoxymethyl)benzoic acid.

Molecular Properties

Compound Name3-methoxy-2-(methoxymethyl)benzoic acid
PubChem CID59838599
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name3-methoxy-2-(methoxymethyl)benzoic acid
SMILESCOCc1c(OC)cccc1C(=O)O
InChIInChI=1S/C10H12O4/c1-13-6-8-7(10(11)12)4-3-5-9(8)14-2/h3-5H,6H2,1-2H3,(H,11,12)
InChIKeyZVAMGZPTTRKONV-UHFFFAOYSA-N
XLogP1.54
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-2-(methoxymethyl)benzoic acid
CID 177243799
1,3-dimethoxy-2-(methoxymethyl)benzene
CID 86183606
calcium bis(2-carboxy-6-methoxyphenolate)
CID 158722601
2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]acetic acid
CID 117353050
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854
2-(2-ethyl-3-methoxyphenyl)-2-oxoacetic acid
CID 67245601
iodophosphanyl 3-methoxy-2-(prop-2-enoxymethyl)benzoate
CID 89409625
2-methoxybenzoic acid;bis(propan-2-ol)
CID 130236181
4-[2-methoxy-6-(methoxymethyl)phenyl]butanoic acid
CID 115006348
CID 140659605
CID 140659605
2-[2-(hydroxymethyl)-3-methoxyphenyl]pyridine-3-carboxylic acid
CID 19700750
2-iodo-3-methoxybenzoyl chloride
CID 14104555

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(methoxymethyl)benzoic acid?
The IUPAC name of 3-methoxy-2-(methoxymethyl)benzoic acid (CID 59838599) is 3-methoxy-2-(methoxymethyl)benzoic acid.
What is the SMILES notation for 3-methoxy-2-(methoxymethyl)benzoic acid?
The canonical SMILES for 3-methoxy-2-(methoxymethyl)benzoic acid is COCc1c(OC)cccc1C(=O)O.
What is the InChIKey of 3-methoxy-2-(methoxymethyl)benzoic acid?
The InChIKey is ZVAMGZPTTRKONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-13-6-8-7(10(11)12)4-3-5-9(8)14-2/h3-5H,6H2,1-2H3,(H,11,12).
What are the key properties of 3-methoxy-2-(methoxymethyl)benzoic acid?
3-methoxy-2-(methoxymethyl)benzoic acid has a molecular weight of 196.20 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(methoxymethyl)benzoic acid is sourced from PubChem (CID 59838599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).