3-[4-[(1-propan-2-ylindol-5-yl)methoxy]phenyl]propanoic acid

C21H23NO3 — CID 78321949

IUPAC3-[4-[(1-propan-2-ylindol-5-yl)methoxy]phenyl]propanoic acid
SMILESCC(C)n1ccc2cc(COc3ccc(CCC(=O)O)cc3)ccc21
InChIInChI=1S/C21H23NO3/c1-15(2)22-12-11-18-13-17(5-9-20(18)22)14-25-19-7-3-16(4-8-19)6-10-21(23)24/h3-5,7-9,11-13,15H,6,10,14H2,1-2H3,(H,23,24)
InChIKeyUHKKEGPHYSLMGJ-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.82
Rot. Bonds7

About 3-[4-[(1-propan-2-ylindol-5-yl)methoxy]phenyl]propanoic acid

3-[4-[(1-propan-2-ylindol-5-yl)methoxy]phenyl]propanoic acid (PubChem CID 78321949) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-[4-[(1-propan-2-ylindol-5-yl)methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(1-propan-2-ylindol-5-yl)methoxy]phenyl]propanoic acid
PubChem CID78321949
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name3-[4-[(1-propan-2-ylindol-5-yl)methoxy]phenyl]propanoic acid
SMILESCC(C)n1ccc2cc(COc3ccc(CCC(=O)O)cc3)ccc21
InChIInChI=1S/C21H23NO3/c1-15(2)22-12-11-18-13-17(5-9-20(18)22)14-25-19-7-3-16(4-8-19)6-10-21(23)24/h3-5,7-9,11-13,15H,6,10,14H2,1-2H3,(H,23,24)
InChIKeyUHKKEGPHYSLMGJ-UHFFFAOYSA-N
XLogP4.82
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-[(1-propan-2-ylindol-5-yl)methoxy]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

3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propanoic acid
CID 82051730
3-[4-[(1-thiophen-3-ylindol-6-yl)methoxy]phenyl]propanoic acid
CID 75202128
3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid
CID 11300296
3-[4-[[4-[(5-methoxy-2-methylindol-1-yl)methyl]phenyl]methoxy]phenyl]propanoic acid
CID 23159997
5-[4-[[4-(2-methylpropyl)phenyl]methoxy]phenyl]pentanoic acid
CID 139921983
3-[4-[(4-phenylphenyl)methoxy]phenyl]propanoic acid
CID 51349860
3-[4-(3-methylbutoxy)phenyl]propanoic acid
CID 167220539
3-[4-(ethylphosphanylmethoxy)phenyl]propanoic acid
CID 143338462
3-[4-[[4-[(7-methylindol-1-yl)methyl]phenyl]methoxy]phenyl]propanoic acid
CID 23159869
methyl 3-(4-phenylmethoxyphenyl)propanoate;3-(4-phenylmethoxyphenyl)propanoic acid
CID 161360857
3-(5-phenylmethoxyindol-1-yl)propanoic acid
CID 22570271
3-[4-[[4-[[2-(cyanomethyl)indol-1-yl]methyl]phenyl]methoxy]phenyl]propanoic acid
CID 23159945

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1-propan-2-ylindol-5-yl)methoxy]phenyl]propanoic acid?
The IUPAC name of 3-[4-[(1-propan-2-ylindol-5-yl)methoxy]phenyl]propanoic acid (CID 78321949) is 3-[4-[(1-propan-2-ylindol-5-yl)methoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(1-propan-2-ylindol-5-yl)methoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[(1-propan-2-ylindol-5-yl)methoxy]phenyl]propanoic acid is CC(C)n1ccc2cc(COc3ccc(CCC(=O)O)cc3)ccc21.
What is the InChIKey of 3-[4-[(1-propan-2-ylindol-5-yl)methoxy]phenyl]propanoic acid?
The InChIKey is UHKKEGPHYSLMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-15(2)22-12-11-18-13-17(5-9-20(18)22)14-25-19-7-3-16(4-8-19)6-10-21(23)24/h3-5,7-9,11-13,15H,6,10,14H2,1-2H3,(H,23,24).
What are the key properties of 3-[4-[(1-propan-2-ylindol-5-yl)methoxy]phenyl]propanoic acid?
3-[4-[(1-propan-2-ylindol-5-yl)methoxy]phenyl]propanoic acid has a molecular weight of 337.42 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1-propan-2-ylindol-5-yl)methoxy]phenyl]propanoic acid is sourced from PubChem (CID 78321949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).