2-(2,4-dimethoxy-3,6-dimethylphenyl)acetic acid

C12H16O4 — CID 84689068

IUPAC2-(2,4-dimethoxy-3,6-dimethylphenyl)acetic acid
SMILESCOc1cc(C)c(CC(=O)O)c(OC)c1C
InChIInChI=1S/C12H16O4/c1-7-5-10(15-3)8(2)12(16-4)9(7)6-11(13)14/h5H,6H2,1-4H3,(H,13,14)
InChIKeyCSXHSPCMYDFJHT-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.95
Rot. Bonds4

About 2-(2,4-dimethoxy-3,6-dimethylphenyl)acetic acid

2-(2,4-dimethoxy-3,6-dimethylphenyl)acetic acid (PubChem CID 84689068) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(2,4-dimethoxy-3,6-dimethylphenyl)acetic acid.

Molecular Properties

Compound Name2-(2,4-dimethoxy-3,6-dimethylphenyl)acetic acid
PubChem CID84689068
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name2-(2,4-dimethoxy-3,6-dimethylphenyl)acetic acid
SMILESCOc1cc(C)c(CC(=O)O)c(OC)c1C
InChIInChI=1S/C12H16O4/c1-7-5-10(15-3)8(2)12(16-4)9(7)6-11(13)14/h5H,6H2,1-4H3,(H,13,14)
InChIKeyCSXHSPCMYDFJHT-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dimethoxy-3,6-dimethylphenyl)methanamine
CID 84666288
2-(3-chloro-2-methoxy-4,6-dimethylphenyl)acetic acid
CID 84692181
3-(2,4-dimethoxy-3,6-dimethylphenyl)propan-1-ol
CID 117322234
2-[(4-methoxy-2,3,6-trimethylphenyl)methyl]prop-2-enoic acid
CID 116866294
2-(6-chloro-3-methoxy-2,4-dimethylphenyl)acetic acid
CID 117329552
2-[4-(bromomethyl)-2-methoxy-6-methylphenyl]acetic acid
CID 171011048
2-(3-methoxy-2,5-dimethylphenyl)acetic acid
CID 118998759
2-(3,4-dimethoxy-5-methylphenyl)acetic acid
CID 70527445
2,5-dimethoxy-3,6-dimethylbenzoic acid
CID 23538696
2-(5-fluoro-2-methoxy-4-methylphenyl)acetic acid
CID 84668061
2-(2,3-difluoro-5,6-dimethoxyphenyl)acetic acid
CID 117335777
4-(2-chloro-3,4-dimethoxy-6-methylphenyl)butanoic acid
CID 117434529

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxy-3,6-dimethylphenyl)acetic acid?
The IUPAC name of 2-(2,4-dimethoxy-3,6-dimethylphenyl)acetic acid (CID 84689068) is 2-(2,4-dimethoxy-3,6-dimethylphenyl)acetic acid.
What is the SMILES notation for 2-(2,4-dimethoxy-3,6-dimethylphenyl)acetic acid?
The canonical SMILES for 2-(2,4-dimethoxy-3,6-dimethylphenyl)acetic acid is COc1cc(C)c(CC(=O)O)c(OC)c1C.
What is the InChIKey of 2-(2,4-dimethoxy-3,6-dimethylphenyl)acetic acid?
The InChIKey is CSXHSPCMYDFJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-7-5-10(15-3)8(2)12(16-4)9(7)6-11(13)14/h5H,6H2,1-4H3,(H,13,14).
What are the key properties of 2-(2,4-dimethoxy-3,6-dimethylphenyl)acetic acid?
2-(2,4-dimethoxy-3,6-dimethylphenyl)acetic acid has a molecular weight of 224.26 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxy-3,6-dimethylphenyl)acetic acid is sourced from PubChem (CID 84689068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).