2-[4-(1,3-dioxolan-4-yl)phenyl]-2-hydroxyacetic acid

C11H12O5 — CID 117321357

IUPAC2-[4-(1,3-dioxolan-4-yl)phenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(C2COCO2)cc1
InChIInChI=1S/C11H12O5/c12-10(11(13)14)8-3-1-7(2-4-8)9-5-15-6-16-9/h1-4,9-10,12H,5-6H2,(H,13,14)
InChIKeyZITQBNRRRHPDPT-UHFFFAOYSA-N
MW224.21 g/mol
LogP0.85
Rot. Bonds3

About 2-[4-(1,3-dioxolan-4-yl)phenyl]-2-hydroxyacetic acid

2-[4-(1,3-dioxolan-4-yl)phenyl]-2-hydroxyacetic acid (PubChem CID 117321357) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is 2-[4-(1,3-dioxolan-4-yl)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[4-(1,3-dioxolan-4-yl)phenyl]-2-hydroxyacetic acid
PubChem CID117321357
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Name2-[4-(1,3-dioxolan-4-yl)phenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(C2COCO2)cc1
InChIInChI=1S/C11H12O5/c12-10(11(13)14)8-3-1-7(2-4-8)9-5-15-6-16-9/h1-4,9-10,12H,5-6H2,(H,13,14)
InChIKeyZITQBNRRRHPDPT-UHFFFAOYSA-N
XLogP0.85
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Mandelic Acid
CID 1292
(S)-mandelic acid
CID 439616
(-)-Mandelic acid
CID 11914
Ethyl mandelate
CID 13050
Methoxyphenylacetic acid
CID 107202
(+-)-Methyl mandelate
CID 78066
Benzyl mandelate
CID 13461
(+)-O-Acetyl-L-mandelic Acid
CID 6923379
O-Acetylmandelic acid
CID 225215
methyl (2S)-2-hydroxy-2-phenylacetate
CID 643570
(R)-(-)-alpha-methoxyphenylacetic acid
CID 2724294
Methyl (R)-(-)-mandelate
CID 2724623

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-dioxolan-4-yl)phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[4-(1,3-dioxolan-4-yl)phenyl]-2-hydroxyacetic acid (CID 117321357) is 2-[4-(1,3-dioxolan-4-yl)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[4-(1,3-dioxolan-4-yl)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[4-(1,3-dioxolan-4-yl)phenyl]-2-hydroxyacetic acid is O=C(O)C(O)c1ccc(C2COCO2)cc1.
What is the InChIKey of 2-[4-(1,3-dioxolan-4-yl)phenyl]-2-hydroxyacetic acid?
The InChIKey is ZITQBNRRRHPDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c12-10(11(13)14)8-3-1-7(2-4-8)9-5-15-6-16-9/h1-4,9-10,12H,5-6H2,(H,13,14).
What are the key properties of 2-[4-(1,3-dioxolan-4-yl)phenyl]-2-hydroxyacetic acid?
2-[4-(1,3-dioxolan-4-yl)phenyl]-2-hydroxyacetic acid has a molecular weight of 224.21 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-dioxolan-4-yl)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 117321357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).