2-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenyl]propanoic acid

C13H14O4 — CID 166350609

IUPAC2-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(C2=COCCO2)cc1
InChIInChI=1S/C13H14O4/c1-9(13(14)15)10-2-4-11(5-3-10)12-8-16-6-7-17-12/h2-5,8-9H,6-7H2,1H3,(H,14,15)
InChIKeyZBDOKFUZAMWSCI-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.22
Rot. Bonds3

About 2-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenyl]propanoic acid

2-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenyl]propanoic acid (PubChem CID 166350609) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenyl]propanoic acid
PubChem CID166350609
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name2-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(C2=COCCO2)cc1
InChIInChI=1S/C13H14O4/c1-9(13(14)15)10-2-4-11(5-3-10)12-8-16-6-7-17-12/h2-5,8-9H,6-7H2,1H3,(H,14,15)
InChIKeyZBDOKFUZAMWSCI-UHFFFAOYSA-N
XLogP2.22
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenoxy]phenyl]ethanol
CID 166387570
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
(2R)-2-(4-fluorophenyl)propanoic acid
CID 7005040
2-[4-[[(4-methyloxan-4-yl)amino]methyl]phenyl]propanoic acid
CID 103264182
2-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid
CID 105345603
(2R)-3-[4-[(1R)-1-carboxyethyl]phenyl]-2-methylpropanoic acid
CID 14367773
(2R)-2-[4-(sulfanylmethyl)phenyl]propanoic acid
CID 141071561
(2S)-2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanoic acid
CID 15941789
methane;(2R)-2-phenylpropanoic acid
CID 162174165
2-phenylpropanoic acid;hydrate
CID 139796091
2-phenylpropanoic acid;dihydrochloride
CID 162109025
CID 175760114
CID 175760114

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenyl]propanoic acid?
The IUPAC name of 2-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenyl]propanoic acid (CID 166350609) is 2-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenyl]propanoic acid.
What is the SMILES notation for 2-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenyl]propanoic acid?
The canonical SMILES for 2-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenyl]propanoic acid is CC(C(=O)O)c1ccc(C2=COCCO2)cc1.
What is the InChIKey of 2-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenyl]propanoic acid?
The InChIKey is ZBDOKFUZAMWSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c1-9(13(14)15)10-2-4-11(5-3-10)12-8-16-6-7-17-12/h2-5,8-9H,6-7H2,1H3,(H,14,15).
What are the key properties of 2-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenyl]propanoic acid?
2-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenyl]propanoic acid has a molecular weight of 234.25 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1,4-dioxin-5-yl)phenyl]propanoic acid is sourced from PubChem (CID 166350609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).