2-(3,4-diethoxyphenyl)acetic acid

C12H16O4 — CID 579813

IUPAC2-(3,4-diethoxyphenyl)acetic acid
SMILESCCOc1ccc(CC(=O)O)cc1OCC
InChIInChI=1S/C12H16O4/c1-3-15-10-6-5-9(8-12(13)14)7-11(10)16-4-2/h5-7H,3-4,8H2,1-2H3,(H,13,14)
InChIKeyFIKUHWAANCXBGJ-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.11
Rot. Bonds6

About 2-(3,4-diethoxyphenyl)acetic acid

2-(3,4-diethoxyphenyl)acetic acid (PubChem CID 579813) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(3,4-diethoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(3,4-diethoxyphenyl)acetic acid
PubChem CID579813
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name2-(3,4-diethoxyphenyl)acetic acid
SMILESCCOc1ccc(CC(=O)O)cc1OCC
InChIInChI=1S/C12H16O4/c1-3-15-10-6-5-9(8-12(13)14)7-11(10)16-4-2/h5-7H,3-4,8H2,1-2H3,(H,13,14)
InChIKeyFIKUHWAANCXBGJ-UHFFFAOYSA-N
XLogP2.11
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diethoxyphenyl)acetic acid?
The IUPAC name of 2-(3,4-diethoxyphenyl)acetic acid (CID 579813) is 2-(3,4-diethoxyphenyl)acetic acid.
What is the SMILES notation for 2-(3,4-diethoxyphenyl)acetic acid?
The canonical SMILES for 2-(3,4-diethoxyphenyl)acetic acid is CCOc1ccc(CC(=O)O)cc1OCC.
What is the InChIKey of 2-(3,4-diethoxyphenyl)acetic acid?
The InChIKey is FIKUHWAANCXBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-3-15-10-6-5-9(8-12(13)14)7-11(10)16-4-2/h5-7H,3-4,8H2,1-2H3,(H,13,14).
What are the key properties of 2-(3,4-diethoxyphenyl)acetic acid?
2-(3,4-diethoxyphenyl)acetic acid has a molecular weight of 224.26 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diethoxyphenyl)acetic acid is sourced from PubChem (CID 579813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).