2-[4-[2-[4-(1-carboxyethoxy)phenyl]propan-2-yl]phenoxy]propanoic acid

C21H24O6 — CID 110193293

IUPAC2-[4-[2-[4-(1-carboxyethoxy)phenyl]propan-2-yl]phenoxy]propanoic acid
SMILESCC(Oc1ccc(C(C)(C)c2ccc(OC(C)C(=O)O)cc2)cc1)C(=O)O
InChIInChI=1S/C21H24O6/c1-13(19(22)23)26-17-9-5-15(6-10-17)21(3,4)16-7-11-18(12-8-16)27-14(2)20(24)25/h5-14H,1-4H3,(H,22,23)(H,24,25)
InChIKeyQGXSHHUUFKMKOZ-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.72
Rot. Bonds8

About 2-[4-[2-[4-(1-carboxyethoxy)phenyl]propan-2-yl]phenoxy]propanoic acid

2-[4-[2-[4-(1-carboxyethoxy)phenyl]propan-2-yl]phenoxy]propanoic acid (PubChem CID 110193293) has the molecular formula C21H24O6 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-[4-[2-[4-(1-carboxyethoxy)phenyl]propan-2-yl]phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[4-[2-[4-(1-carboxyethoxy)phenyl]propan-2-yl]phenoxy]propanoic acid
PubChem CID110193293
Molecular FormulaC21H24O6
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC Name2-[4-[2-[4-(1-carboxyethoxy)phenyl]propan-2-yl]phenoxy]propanoic acid
SMILESCC(Oc1ccc(C(C)(C)c2ccc(OC(C)C(=O)O)cc2)cc1)C(=O)O
InChIInChI=1S/C21H24O6/c1-13(19(22)23)26-17-9-5-15(6-10-17)21(3,4)16-7-11-18(12-8-16)27-14(2)20(24)25/h5-14H,1-4H3,(H,22,23)(H,24,25)
InChIKeyQGXSHHUUFKMKOZ-UHFFFAOYSA-N
XLogP3.72
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-[4-(1-carboxyethoxy)phenyl]propan-2-yl]phenoxy]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

azane;(2R)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 162540820
2-(4-fluorophenoxy)propanoic acid
CID 3872140
2-(4-propan-2-ylphenoxy)propanoic acid
CID 3252680
2-phenoxypropanoic acid;hydrofluoride
CID 161153787
2-(4-chlorophenoxy)propanoic acid;2,2-dichloropropanoic acid
CID 67571013
2-[4-(4-methylphenyl)phenoxy]propanoic acid
CID 16769111
sodium;hydride;2-phenoxypropanoic acid
CID 174562261
potassium;hydride;2-phenoxypropanoic acid
CID 174805355
(2S)-2-[4-(4-methylphenoxy)phenoxy]propanoic acid
CID 92960697
(2R)-2-[4-(carboxymethoxy)phenoxy]propanoic acid
CID 139082726
2-(4-tert-butylphenoxy)propanoate
CID 71431991
2-(4-anilinophenoxy)propanoic acid
CID 43519559

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(1-carboxyethoxy)phenyl]propan-2-yl]phenoxy]propanoic acid?
The IUPAC name of 2-[4-[2-[4-(1-carboxyethoxy)phenyl]propan-2-yl]phenoxy]propanoic acid (CID 110193293) is 2-[4-[2-[4-(1-carboxyethoxy)phenyl]propan-2-yl]phenoxy]propanoic acid.
What is the SMILES notation for 2-[4-[2-[4-(1-carboxyethoxy)phenyl]propan-2-yl]phenoxy]propanoic acid?
The canonical SMILES for 2-[4-[2-[4-(1-carboxyethoxy)phenyl]propan-2-yl]phenoxy]propanoic acid is CC(Oc1ccc(C(C)(C)c2ccc(OC(C)C(=O)O)cc2)cc1)C(=O)O.
What is the InChIKey of 2-[4-[2-[4-(1-carboxyethoxy)phenyl]propan-2-yl]phenoxy]propanoic acid?
The InChIKey is QGXSHHUUFKMKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O6/c1-13(19(22)23)26-17-9-5-15(6-10-17)21(3,4)16-7-11-18(12-8-16)27-14(2)20(24)25/h5-14H,1-4H3,(H,22,23)(H,24,25).
What are the key properties of 2-[4-[2-[4-(1-carboxyethoxy)phenyl]propan-2-yl]phenoxy]propanoic acid?
2-[4-[2-[4-(1-carboxyethoxy)phenyl]propan-2-yl]phenoxy]propanoic acid has a molecular weight of 372.42 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(1-carboxyethoxy)phenyl]propan-2-yl]phenoxy]propanoic acid is sourced from PubChem (CID 110193293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).