2-(2-ethyl-3,5-dimethoxyphenyl)acetic acid

C12H16O4 — CID 117321866

IUPAC2-(2-ethyl-3,5-dimethoxyphenyl)acetic acid
SMILESCCc1c(CC(=O)O)cc(OC)cc1OC
InChIInChI=1S/C12H16O4/c1-4-10-8(6-12(13)14)5-9(15-2)7-11(10)16-3/h5,7H,4,6H2,1-3H3,(H,13,14)
InChIKeyODCGWWSCJGLYBX-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.89
Rot. Bonds5

About 2-(2-ethyl-3,5-dimethoxyphenyl)acetic acid

2-(2-ethyl-3,5-dimethoxyphenyl)acetic acid (PubChem CID 117321866) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(2-ethyl-3,5-dimethoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-ethyl-3,5-dimethoxyphenyl)acetic acid
PubChem CID117321866
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name2-(2-ethyl-3,5-dimethoxyphenyl)acetic acid
SMILESCCc1c(CC(=O)O)cc(OC)cc1OC
InChIInChI=1S/C12H16O4/c1-4-10-8(6-12(13)14)5-9(15-2)7-11(10)16-3/h5,7H,4,6H2,1-3H3,(H,13,14)
InChIKeyODCGWWSCJGLYBX-UHFFFAOYSA-N
XLogP1.89
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-ethyl-3,5-dimethoxyphenyl)butan-1-amine
CID 117347671
2-[(2,4,6-trimethoxyphenyl)methylsulfonyl]acetic acid
CID 18003795
1-[(2-ethyl-4,6-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 166303450
2-(2,3-diamino-5-methoxyphenyl)acetic acid
CID 171011380
1-cyclohexyl-2-(2,4,6-trimethoxyphenyl)ethanone
CID 102278898
2-(2-ethyl-6-methoxy-4-phenylphenyl)acetic acid
CID 66707549
propan-2-yl 2-(2,4,6-trimethoxyphenyl)acetate
CID 96708288
(4-ethyl-3,5-dimethoxyphenyl) prop-2-enoate
CID 18361938
2,4-dimethoxy-6-pentylbenzoic acid
CID 12658769
[2,4-dimethoxy-6-(methoxymethyl)phenyl]methanamine
CID 117301737
methyl 3-(2,4,6-trimethoxyphenyl)propanoate
CID 25107739
3-sulfanyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoic acid
CID 174778343

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-3,5-dimethoxyphenyl)acetic acid?
The IUPAC name of 2-(2-ethyl-3,5-dimethoxyphenyl)acetic acid (CID 117321866) is 2-(2-ethyl-3,5-dimethoxyphenyl)acetic acid.
What is the SMILES notation for 2-(2-ethyl-3,5-dimethoxyphenyl)acetic acid?
The canonical SMILES for 2-(2-ethyl-3,5-dimethoxyphenyl)acetic acid is CCc1c(CC(=O)O)cc(OC)cc1OC.
What is the InChIKey of 2-(2-ethyl-3,5-dimethoxyphenyl)acetic acid?
The InChIKey is ODCGWWSCJGLYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-4-10-8(6-12(13)14)5-9(15-2)7-11(10)16-3/h5,7H,4,6H2,1-3H3,(H,13,14).
What are the key properties of 2-(2-ethyl-3,5-dimethoxyphenyl)acetic acid?
2-(2-ethyl-3,5-dimethoxyphenyl)acetic acid has a molecular weight of 224.26 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-3,5-dimethoxyphenyl)acetic acid is sourced from PubChem (CID 117321866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).