3-[4-cyclohexyloxy-3-fluoro-5-(1-methylindol-5-yl)phenyl]propanoic acid

C24H26FNO3 — CID 22559158

IUPAC3-[4-cyclohexyloxy-3-fluoro-5-(1-methylindol-5-yl)phenyl]propanoic acid
SMILESCn1ccc2cc(-c3cc(CCC(=O)O)cc(F)c3OC3CCCCC3)ccc21
InChIInChI=1S/C24H26FNO3/c1-26-12-11-18-15-17(8-9-22(18)26)20-13-16(7-10-23(27)28)14-21(25)24(20)29-19-5-3-2-4-6-19/h8-9,11-15,19H,2-7,10H2,1H3,(H,27,28)
InChIKeyYHMHLAULURQYDK-UHFFFAOYSA-N
MW395.47 g/mol
LogP5.71
Rot. Bonds6

About 3-[4-cyclohexyloxy-3-fluoro-5-(1-methylindol-5-yl)phenyl]propanoic acid

3-[4-cyclohexyloxy-3-fluoro-5-(1-methylindol-5-yl)phenyl]propanoic acid (PubChem CID 22559158) has the molecular formula C24H26FNO3 and a molecular weight of 395.47 g/mol. Its IUPAC name is 3-[4-cyclohexyloxy-3-fluoro-5-(1-methylindol-5-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-cyclohexyloxy-3-fluoro-5-(1-methylindol-5-yl)phenyl]propanoic acid
PubChem CID22559158
Molecular FormulaC24H26FNO3
Molecular Weight395.47 g/mol
Exact Mass395.19
IUPAC Name3-[4-cyclohexyloxy-3-fluoro-5-(1-methylindol-5-yl)phenyl]propanoic acid
SMILESCn1ccc2cc(-c3cc(CCC(=O)O)cc(F)c3OC3CCCCC3)ccc21
InChIInChI=1S/C24H26FNO3/c1-26-12-11-18-15-17(8-9-22(18)26)20-13-16(7-10-23(27)28)14-21(25)24(20)29-19-5-3-2-4-6-19/h8-9,11-15,19H,2-7,10H2,1H3,(H,27,28)
InChIKeyYHMHLAULURQYDK-UHFFFAOYSA-N
XLogP5.71
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.47
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-cyclohexyloxy-3-fluoro-5-(1-methylindol-5-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

Frequently Asked Questions

What is the IUPAC name of 3-[4-cyclohexyloxy-3-fluoro-5-(1-methylindol-5-yl)phenyl]propanoic acid?
The IUPAC name of 3-[4-cyclohexyloxy-3-fluoro-5-(1-methylindol-5-yl)phenyl]propanoic acid (CID 22559158) is 3-[4-cyclohexyloxy-3-fluoro-5-(1-methylindol-5-yl)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-cyclohexyloxy-3-fluoro-5-(1-methylindol-5-yl)phenyl]propanoic acid?
The canonical SMILES for 3-[4-cyclohexyloxy-3-fluoro-5-(1-methylindol-5-yl)phenyl]propanoic acid is Cn1ccc2cc(-c3cc(CCC(=O)O)cc(F)c3OC3CCCCC3)ccc21.
What is the InChIKey of 3-[4-cyclohexyloxy-3-fluoro-5-(1-methylindol-5-yl)phenyl]propanoic acid?
The InChIKey is YHMHLAULURQYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FNO3/c1-26-12-11-18-15-17(8-9-22(18)26)20-13-16(7-10-23(27)28)14-21(25)24(20)29-19-5-3-2-4-6-19/h8-9,11-15,19H,2-7,10H2,1H3,(H,27,28).
What are the key properties of 3-[4-cyclohexyloxy-3-fluoro-5-(1-methylindol-5-yl)phenyl]propanoic acid?
3-[4-cyclohexyloxy-3-fluoro-5-(1-methylindol-5-yl)phenyl]propanoic acid has a molecular weight of 395.47 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-cyclohexyloxy-3-fluoro-5-(1-methylindol-5-yl)phenyl]propanoic acid is sourced from PubChem (CID 22559158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).