2-(6-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetic acid

C12H16O5 — CID 117352963

IUPAC2-(6-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetic acid
SMILESCCc1ccc(OC)c(OC)c1C(O)C(=O)O
InChIInChI=1S/C12H16O5/c1-4-7-5-6-8(16-2)11(17-3)9(7)10(13)12(14)15/h5-6,10,13H,4H2,1-3H3,(H,14,15)
InChIKeyQDYHFWFFLUUVHC-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.38
Rot. Bonds5

About 2-(6-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetic acid

2-(6-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetic acid (PubChem CID 117352963) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is 2-(6-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(6-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetic acid
PubChem CID117352963
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name2-(6-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetic acid
SMILESCCc1ccc(OC)c(OC)c1C(O)C(=O)O
InChIInChI=1S/C12H16O5/c1-4-7-5-6-8(16-2)11(17-3)9(7)10(13)12(14)15/h5-6,10,13H,4H2,1-3H3,(H,14,15)
InChIKeyQDYHFWFFLUUVHC-UHFFFAOYSA-N
XLogP1.38
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-hydroxy-2-(2,3,6-trimethoxyphenyl)acetate
CID 117428823
2-hydroxy-2-(2-hydroxy-3,4-dimethoxyphenyl)acetic acid
CID 117328303
2-amino-2-(6-ethyl-2-hydroxy-3-methoxyphenyl)acetic acid
CID 84689653
2-(2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 54776000
1-ethyl-3,4-dimethoxy-2-methylbenzene
CID 54293104
2-(2,6-diiodo-3-methoxyphenyl)-2-hydroxyacetic acid
CID 118998450
2-amino-3-(3-ethyl-2,4-dimethoxyphenyl)propanoic acid
CID 117385932
2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-hydroxyacetic acid
CID 117428843
2-(5-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 117352962
2-[(2,3,4-trimethoxyphenyl)methyl]hexanoic acid
CID 154057350
2-(3,6-dichloro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 171009337
2-amino-2-(2-ethyl-3,4-dimethoxyphenyl)acetic acid
CID 117350529

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(6-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetic acid (CID 117352963) is 2-(6-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(6-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(6-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetic acid is CCc1ccc(OC)c(OC)c1C(O)C(=O)O.
What is the InChIKey of 2-(6-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetic acid?
The InChIKey is QDYHFWFFLUUVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c1-4-7-5-6-8(16-2)11(17-3)9(7)10(13)12(14)15/h5-6,10,13H,4H2,1-3H3,(H,14,15).
What are the key properties of 2-(6-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetic acid?
2-(6-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetic acid has a molecular weight of 240.25 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-(6-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117352963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).