2,5-dimethoxy-3,6-dimethylbenzoic acid

C11H14O4 — CID 23538696

IUPAC2,5-dimethoxy-3,6-dimethylbenzoic acid
SMILESCOc1cc(C)c(OC)c(C(=O)O)c1C
InChIInChI=1S/C11H14O4/c1-6-5-8(14-3)7(2)9(11(12)13)10(6)15-4/h5H,1-4H3,(H,12,13)
InChIKeyZRSVIDSMNUEIRL-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.02
Rot. Bonds3

About 2,5-dimethoxy-3,6-dimethylbenzoic acid

2,5-dimethoxy-3,6-dimethylbenzoic acid (PubChem CID 23538696) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2,5-dimethoxy-3,6-dimethylbenzoic acid.

Molecular Properties

Compound Name2,5-dimethoxy-3,6-dimethylbenzoic acid
PubChem CID23538696
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name2,5-dimethoxy-3,6-dimethylbenzoic acid
SMILESCOc1cc(C)c(OC)c(C(=O)O)c1C
InChIInChI=1S/C11H14O4/c1-6-5-8(14-3)7(2)9(11(12)13)10(6)15-4/h5H,1-4H3,(H,12,13)
InChIKeyZRSVIDSMNUEIRL-UHFFFAOYSA-N
XLogP2.02
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethoxy-3,6-dimethylphenyl)-2-(methylamino)ethanone
CID 117347100
3-ethyl-2,4-dimethoxy-6-methylbenzoic acid
CID 86188717
(2-hydroxy-4-methoxy-3,6-dimethylphenyl) hydrogen carbonate
CID 87860569
(E)-3-(2,5-dimethoxy-3,6-dimethylphenyl)prop-2-enoic acid
CID 15125086
1-(2,3-dimethoxy-5,6-dimethylphenyl)ethanone
CID 117297608
2-amino-4-methoxy-6-methylbenzene-1,3-dicarboxylic acid
CID 151960724
2-(2,4-dimethoxy-3,6-dimethylphenyl)acetic acid
CID 84689068
1-(4-methoxy-2,3,6-trimethylphenyl)-2-sulfanylethanone
CID 116829931
2,6-dimethoxy-3,4-dimethylbenzamide
CID 175082400
(2,6-dimethoxy-3,5-dimethylphenyl)-phosphanylmethanone
CID 159041821
2-methoxy-5,6-dimethyl-3-phenylbenzoic acid
CID 175512460
6-methoxy-2,4-dimethyl-3-nitrobenzoic acid
CID 50883102

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-3,6-dimethylbenzoic acid?
The IUPAC name of 2,5-dimethoxy-3,6-dimethylbenzoic acid (CID 23538696) is 2,5-dimethoxy-3,6-dimethylbenzoic acid.
What is the SMILES notation for 2,5-dimethoxy-3,6-dimethylbenzoic acid?
The canonical SMILES for 2,5-dimethoxy-3,6-dimethylbenzoic acid is COc1cc(C)c(OC)c(C(=O)O)c1C.
What is the InChIKey of 2,5-dimethoxy-3,6-dimethylbenzoic acid?
The InChIKey is ZRSVIDSMNUEIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-6-5-8(14-3)7(2)9(11(12)13)10(6)15-4/h5H,1-4H3,(H,12,13).
What are the key properties of 2,5-dimethoxy-3,6-dimethylbenzoic acid?
2,5-dimethoxy-3,6-dimethylbenzoic acid has a molecular weight of 210.23 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-3,6-dimethylbenzoic acid is sourced from PubChem (CID 23538696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).