4-(dimethoxymethyl)-2,6-dimethoxybenzoic acid

C12H16O6 — CID 134227267

IUPAC4-(dimethoxymethyl)-2,6-dimethoxybenzoic acid
SMILESCOc1cc(C(OC)OC)cc(OC)c1C(=O)O
InChIInChI=1S/C12H16O6/c1-15-8-5-7(12(17-3)18-4)6-9(16-2)10(8)11(13)14/h5-6,12H,1-4H3,(H,13,14)
InChIKeySGVCQWMJMSLHSV-UHFFFAOYSA-N
MW256.25 g/mol
LogP1.69
Rot. Bonds6

About 4-(dimethoxymethyl)-2,6-dimethoxybenzoic acid

4-(dimethoxymethyl)-2,6-dimethoxybenzoic acid (PubChem CID 134227267) has the molecular formula C12H16O6 and a molecular weight of 256.25 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2,6-dimethoxybenzoic acid.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2,6-dimethoxybenzoic acid
PubChem CID134227267
Molecular FormulaC12H16O6
Molecular Weight256.25 g/mol
Exact Mass256.09
IUPAC Name4-(dimethoxymethyl)-2,6-dimethoxybenzoic acid
SMILESCOc1cc(C(OC)OC)cc(OC)c1C(=O)O
InChIInChI=1S/C12H16O6/c1-15-8-5-7(12(17-3)18-4)6-9(16-2)10(8)11(13)14/h5-6,12H,1-4H3,(H,13,14)
InChIKeySGVCQWMJMSLHSV-UHFFFAOYSA-N
XLogP1.69
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 51.69
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

methyl 4-(dimethoxymethyl)-2,6-dimethoxybenzoate
CID 11086825
4-hydroxysulfanyl-2,6-dimethoxybenzoic acid
CID 163614088
2,6-dimethoxy-4-prop-2-enylbenzoic acid
CID 175319982
3-methoxy-5-methylphthalic acid
CID 12908895
5-(dimethoxymethyl)-1,2-dimethoxy-3-nitrobenzene
CID 118565953
2-amino-4-methoxy-6-methylbenzene-1,3-dicarboxylic acid
CID 151960724
2-bromo-6-methoxy-4-methylbenzoic acid
CID 84802763
2-(carboxymethyl)-6-methoxy-4-methylbenzoic acid
CID 13308736
2-amino-3-chloro-4,6-dimethoxybenzoic acid
CID 136575886
4-chloro-2-fluoro-6-methoxybenzoic acid
CID 53399475
4,6-dimethoxy-2-methylpyridine-3-carboxylic acid;hydrochloride
CID 139270209
(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid
CID 736173

Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-2,6-dimethoxybenzoic acid?
The IUPAC name of 4-(dimethoxymethyl)-2,6-dimethoxybenzoic acid (CID 134227267) is 4-(dimethoxymethyl)-2,6-dimethoxybenzoic acid.
What is the SMILES notation for 4-(dimethoxymethyl)-2,6-dimethoxybenzoic acid?
The canonical SMILES for 4-(dimethoxymethyl)-2,6-dimethoxybenzoic acid is COc1cc(C(OC)OC)cc(OC)c1C(=O)O.
What is the InChIKey of 4-(dimethoxymethyl)-2,6-dimethoxybenzoic acid?
The InChIKey is SGVCQWMJMSLHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O6/c1-15-8-5-7(12(17-3)18-4)6-9(16-2)10(8)11(13)14/h5-6,12H,1-4H3,(H,13,14).
What are the key properties of 4-(dimethoxymethyl)-2,6-dimethoxybenzoic acid?
4-(dimethoxymethyl)-2,6-dimethoxybenzoic acid has a molecular weight of 256.25 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2,6-dimethoxybenzoic acid is sourced from PubChem (CID 134227267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).