2-(3-ethenoxyphenyl)acetic acid

C10H10O3 — CID 88995868

IUPAC2-(3-ethenoxyphenyl)acetic acid
SMILESC=COc1cccc(CC(=O)O)c1
InChIInChI=1S/C10H10O3/c1-2-13-9-5-3-4-8(6-9)7-10(11)12/h2-6H,1,7H2,(H,11,12)
InChIKeyAZFWHOKOBLXWBG-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.84
Rot. Bonds4

About 2-(3-ethenoxyphenyl)acetic acid

2-(3-ethenoxyphenyl)acetic acid (PubChem CID 88995868) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-(3-ethenoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-ethenoxyphenyl)acetic acid
PubChem CID88995868
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name2-(3-ethenoxyphenyl)acetic acid
SMILESC=COc1cccc(CC(=O)O)c1
InChIInChI=1S/C10H10O3/c1-2-13-9-5-3-4-8(6-9)7-10(11)12/h2-6H,1,7H2,(H,11,12)
InChIKeyAZFWHOKOBLXWBG-UHFFFAOYSA-N
XLogP1.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenoxyphenyl)acetic acid?
The IUPAC name of 2-(3-ethenoxyphenyl)acetic acid (CID 88995868) is 2-(3-ethenoxyphenyl)acetic acid.
What is the SMILES notation for 2-(3-ethenoxyphenyl)acetic acid?
The canonical SMILES for 2-(3-ethenoxyphenyl)acetic acid is C=COc1cccc(CC(=O)O)c1.
What is the InChIKey of 2-(3-ethenoxyphenyl)acetic acid?
The InChIKey is AZFWHOKOBLXWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c1-2-13-9-5-3-4-8(6-9)7-10(11)12/h2-6H,1,7H2,(H,11,12).
What are the key properties of 2-(3-ethenoxyphenyl)acetic acid?
2-(3-ethenoxyphenyl)acetic acid has a molecular weight of 178.19 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenoxyphenyl)acetic acid is sourced from PubChem (CID 88995868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).