2-[2-(1,3-dioxolan-2-yl)phenyl]acetic acid

C11H12O4 — CID 10262496

IUPAC2-[2-(1,3-dioxolan-2-yl)phenyl]acetic acid
SMILESO=[13C](O)Cc1ccccc1C1OCCO1
InChIInChI=1S/C11H12O4/c12-10(13)7-8-3-1-2-4-9(8)11-14-5-6-15-11/h1-4,11H,5-7H2,(H,12,13)/i10+1
InChIKeyRIEJZMLMYLCLNM-DETAZLGJSA-N
MW209.21 g/mol
LogP1.36
Rot. Bonds3

About 2-[2-(1,3-dioxolan-2-yl)phenyl]acetic acid

2-[2-(1,3-dioxolan-2-yl)phenyl]acetic acid (PubChem CID 10262496) has the molecular formula C11H12O4 and a molecular weight of 209.21 g/mol. Its IUPAC name is 2-[2-(1,3-dioxolan-2-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(1,3-dioxolan-2-yl)phenyl]acetic acid
PubChem CID10262496
Molecular FormulaC11H12O4
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC Name2-[2-(1,3-dioxolan-2-yl)phenyl]acetic acid
SMILESO=[13C](O)Cc1ccccc1C1OCCO1
InChIInChI=1S/C11H12O4/c12-10(13)7-8-3-1-2-4-9(8)11-14-5-6-15-11/h1-4,11H,5-7H2,(H,12,13)/i10+1
InChIKeyRIEJZMLMYLCLNM-DETAZLGJSA-N
XLogP1.36
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dioxolan-2-yl)phenyl]acetic acid?
The IUPAC name of 2-[2-(1,3-dioxolan-2-yl)phenyl]acetic acid (CID 10262496) is 2-[2-(1,3-dioxolan-2-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(1,3-dioxolan-2-yl)phenyl]acetic acid?
The canonical SMILES for 2-[2-(1,3-dioxolan-2-yl)phenyl]acetic acid is O=[13C](O)Cc1ccccc1C1OCCO1.
What is the InChIKey of 2-[2-(1,3-dioxolan-2-yl)phenyl]acetic acid?
The InChIKey is RIEJZMLMYLCLNM-DETAZLGJSA-N. The full InChI is InChI=1S/C11H12O4/c12-10(13)7-8-3-1-2-4-9(8)11-14-5-6-15-11/h1-4,11H,5-7H2,(H,12,13)/i10+1.
What are the key properties of 2-[2-(1,3-dioxolan-2-yl)phenyl]acetic acid?
2-[2-(1,3-dioxolan-2-yl)phenyl]acetic acid has a molecular weight of 209.21 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dioxolan-2-yl)phenyl]acetic acid is sourced from PubChem (CID 10262496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).