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

C14H18O4 — CID 117379183

IUPAC2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccccc1C1COC(C)(C)O1
InChIInChI=1S/C14H18O4/c1-9(13(15)16)10-6-4-5-7-11(10)12-8-17-14(2,3)18-12/h4-7,9,12H,8H2,1-3H3,(H,15,16)
InChIKeyQNGUJBILXMBEDY-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.70
Rot. Bonds3

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

2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propanoic acid (PubChem CID 117379183) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propanoic acid
PubChem CID117379183
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccccc1C1COC(C)(C)O1
InChIInChI=1S/C14H18O4/c1-9(13(15)16)10-6-4-5-7-11(10)12-8-17-14(2,3)18-12/h4-7,9,12H,8H2,1-3H3,(H,15,16)
InChIKeyQNGUJBILXMBEDY-UHFFFAOYSA-N
XLogP2.70
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethanol
CID 117347005
2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-2-oxoacetic acid
CID 117378520
1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propan-2-ol
CID 117345071
(4R)-2,2-dimethyl-4-phenyl-1,3-dioxolane
CID 11344328
1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-2-(methylamino)ethanone
CID 117376223
4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methyl-1-benzofuran-2-carboxylic acid
CID 68717497
3-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propanal
CID 117340421
1-[[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-ol
CID 117374015
[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methanesulfonyl chloride
CID 117469798
2-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-2-methoxyacetic acid
CID 151481552
2-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]acetic acid
CID 117344858
(3R)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]phenyl]butan-1-one
CID 148975812

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propanoic acid?
The IUPAC name of 2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propanoic acid (CID 117379183) is 2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propanoic acid.
What is the SMILES notation for 2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propanoic acid?
The canonical SMILES for 2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propanoic acid is CC(C(=O)O)c1ccccc1C1COC(C)(C)O1.
What is the InChIKey of 2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propanoic acid?
The InChIKey is QNGUJBILXMBEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-9(13(15)16)10-6-4-5-7-11(10)12-8-17-14(2,3)18-12/h4-7,9,12H,8H2,1-3H3,(H,15,16).
What are the key properties of 2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propanoic acid?
2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propanoic acid has a molecular weight of 250.29 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propanoic acid is sourced from PubChem (CID 117379183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).