3-ethyl-2,4-dimethoxy-6-methylbenzoic acid

C12H16O4 — CID 86188717

IUPAC3-ethyl-2,4-dimethoxy-6-methylbenzoic acid
SMILESCCc1c(OC)cc(C)c(C(=O)O)c1OC
InChIInChI=1S/C12H16O4/c1-5-8-9(15-3)6-7(2)10(12(13)14)11(8)16-4/h6H,5H2,1-4H3,(H,13,14)
InChIKeyZYQIDSVUCNVTAC-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.27
Rot. Bonds4

About 3-ethyl-2,4-dimethoxy-6-methylbenzoic acid

3-ethyl-2,4-dimethoxy-6-methylbenzoic acid (PubChem CID 86188717) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-ethyl-2,4-dimethoxy-6-methylbenzoic acid.

Molecular Properties

Compound Name3-ethyl-2,4-dimethoxy-6-methylbenzoic acid
PubChem CID86188717
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name3-ethyl-2,4-dimethoxy-6-methylbenzoic acid
SMILESCCc1c(OC)cc(C)c(C(=O)O)c1OC
InChIInChI=1S/C12H16O4/c1-5-8-9(15-3)6-7(2)10(12(13)14)11(8)16-4/h6H,5H2,1-4H3,(H,13,14)
InChIKeyZYQIDSVUCNVTAC-UHFFFAOYSA-N
XLogP2.27
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethoxy-3,6-dimethylbenzoic acid
CID 23538696
2-ethyl-3,6-dimethoxybenzoic acid
CID 84677566
2-amino-4-methoxy-6-methylbenzene-1,3-dicarboxylic acid
CID 151960724
2,3-diethyl-4-methoxy-6-methylphenol
CID 162375144
2-ethyl-1-methoxy-3,4,5-trimethylbenzene
CID 118500678
3-amino-2-ethyl-4,5-dimethoxybenzoic acid
CID 84689670
methyl 2,3,4-trimethoxy-6-methylbenzoate
CID 59466592
2-methoxy-4-methyl-6-(trifluoromethyl)benzene-1,3-dicarboxylic acid
CID 82667545
2-(2,4-dimethoxy-3,6-dimethylphenyl)acetic acid
CID 84689068
4-methoxy-6-methyl-3-(3-methylbut-2-enyl)-2-phenacylbenzoic acid
CID 144515881
2-bromo-3-ethyl-6-hydroxy-5-methoxybenzoic acid
CID 84714045
1-(4-methoxy-2,3,6-trimethylphenyl)-2-sulfanylethanone
CID 116829931

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,4-dimethoxy-6-methylbenzoic acid?
The IUPAC name of 3-ethyl-2,4-dimethoxy-6-methylbenzoic acid (CID 86188717) is 3-ethyl-2,4-dimethoxy-6-methylbenzoic acid.
What is the SMILES notation for 3-ethyl-2,4-dimethoxy-6-methylbenzoic acid?
The canonical SMILES for 3-ethyl-2,4-dimethoxy-6-methylbenzoic acid is CCc1c(OC)cc(C)c(C(=O)O)c1OC.
What is the InChIKey of 3-ethyl-2,4-dimethoxy-6-methylbenzoic acid?
The InChIKey is ZYQIDSVUCNVTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-5-8-9(15-3)6-7(2)10(12(13)14)11(8)16-4/h6H,5H2,1-4H3,(H,13,14).
What are the key properties of 3-ethyl-2,4-dimethoxy-6-methylbenzoic acid?
3-ethyl-2,4-dimethoxy-6-methylbenzoic acid has a molecular weight of 224.26 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,4-dimethoxy-6-methylbenzoic acid is sourced from PubChem (CID 86188717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).