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

C12H14O4 — CID 170886697

IUPAC2-[2-(1,3-dioxolan-2-ylmethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1CC1OCCO1
InChIInChI=1S/C12H14O4/c13-11(14)7-9-3-1-2-4-10(9)8-12-15-5-6-16-12/h1-4,12H,5-8H2,(H,13,14)
InChIKeyZVXGKGCMOCDJKP-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.23
Rot. Bonds4

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

2-[2-(1,3-dioxolan-2-ylmethyl)phenyl]acetic acid (PubChem CID 170886697) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-[2-(1,3-dioxolan-2-ylmethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(1,3-dioxolan-2-ylmethyl)phenyl]acetic acid
PubChem CID170886697
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name2-[2-(1,3-dioxolan-2-ylmethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1CC1OCCO1
InChIInChI=1S/C12H14O4/c13-11(14)7-9-3-1-2-4-10(9)8-12-15-5-6-16-12/h1-4,12H,5-8H2,(H,13,14)
InChIKeyZVXGKGCMOCDJKP-UHFFFAOYSA-N
XLogP1.23
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.23
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-ylmethyl)phenyl]acetic acid?
The IUPAC name of 2-[2-(1,3-dioxolan-2-ylmethyl)phenyl]acetic acid (CID 170886697) is 2-[2-(1,3-dioxolan-2-ylmethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(1,3-dioxolan-2-ylmethyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-(1,3-dioxolan-2-ylmethyl)phenyl]acetic acid is O=C(O)Cc1ccccc1CC1OCCO1.
What is the InChIKey of 2-[2-(1,3-dioxolan-2-ylmethyl)phenyl]acetic acid?
The InChIKey is ZVXGKGCMOCDJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c13-11(14)7-9-3-1-2-4-10(9)8-12-15-5-6-16-12/h1-4,12H,5-8H2,(H,13,14).
What are the key properties of 2-[2-(1,3-dioxolan-2-ylmethyl)phenyl]acetic acid?
2-[2-(1,3-dioxolan-2-ylmethyl)phenyl]acetic acid has a molecular weight of 222.24 g/mol, XLogP of 1.23, 4 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-ylmethyl)phenyl]acetic acid is sourced from PubChem (CID 170886697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).