2-hydroxy-3,4-bis(methoxymethyl)benzoic acid

C11H14O5 — CID 174584016

IUPAC2-hydroxy-3,4-bis(methoxymethyl)benzoic acid
SMILESCOCc1ccc(C(=O)O)c(O)c1COC
InChIInChI=1S/C11H14O5/c1-15-5-7-3-4-8(11(13)14)10(12)9(7)6-16-2/h3-4,12H,5-6H2,1-2H3,(H,13,14)
InChIKeyCCTDFJPQAZTXDF-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.38
Rot. Bonds5

About 2-hydroxy-3,4-bis(methoxymethyl)benzoic acid

2-hydroxy-3,4-bis(methoxymethyl)benzoic acid (PubChem CID 174584016) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-hydroxy-3,4-bis(methoxymethyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-3,4-bis(methoxymethyl)benzoic acid
PubChem CID174584016
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name2-hydroxy-3,4-bis(methoxymethyl)benzoic acid
SMILESCOCc1ccc(C(=O)O)c(O)c1COC
InChIInChI=1S/C11H14O5/c1-15-5-7-3-4-8(11(13)14)10(12)9(7)6-16-2/h3-4,12H,5-6H2,1-2H3,(H,13,14)
InChIKeyCCTDFJPQAZTXDF-UHFFFAOYSA-N
XLogP1.38
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-(methoxymethyl)benzoic acid
CID 91235487
3-ethyl-2-(methoxymethyl)benzoic acid
CID 177243799
2-hydroxy-3-methoxyterephthalic acid
CID 150906363
3-(methoxymethyl)-2-methyl-4-methylsulfanylbenzoic acid
CID 15132836
2-hydroxy-3,4-di(pentadecyl)benzoic acid
CID 139798783
methoxymethylbenzene;2-(methoxymethyl)benzoic acid
CID 175486457
3-methoxy-2-(methoxymethyl)benzoic acid
CID 59838599
3-(methoxymethyl)naphthalene-2-carboxylic acid
CID 132596930
CID 67856266
CID 67856266
2,4-dihydroxy-3-methoxybenzoic acid
CID 3021603
sodium;2,3-dihydroxyterephthalic acid;hydride
CID 175464540
2-fluoro-4-(methoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
CID 90408802

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,4-bis(methoxymethyl)benzoic acid?
The IUPAC name of 2-hydroxy-3,4-bis(methoxymethyl)benzoic acid (CID 174584016) is 2-hydroxy-3,4-bis(methoxymethyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-3,4-bis(methoxymethyl)benzoic acid?
The canonical SMILES for 2-hydroxy-3,4-bis(methoxymethyl)benzoic acid is COCc1ccc(C(=O)O)c(O)c1COC.
What is the InChIKey of 2-hydroxy-3,4-bis(methoxymethyl)benzoic acid?
The InChIKey is CCTDFJPQAZTXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-15-5-7-3-4-8(11(13)14)10(12)9(7)6-16-2/h3-4,12H,5-6H2,1-2H3,(H,13,14).
What are the key properties of 2-hydroxy-3,4-bis(methoxymethyl)benzoic acid?
2-hydroxy-3,4-bis(methoxymethyl)benzoic acid has a molecular weight of 226.23 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,4-bis(methoxymethyl)benzoic acid is sourced from PubChem (CID 174584016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).