5-(4-cyclohexylphenoxy)-1-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid

C30H31NO4 — CID 44585955

IUPAC5-(4-cyclohexylphenoxy)-1-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid
SMILESCC(C)Oc1ccc(-n2c(C(=O)O)cc3cc(Oc4ccc(C5CCCCC5)cc4)ccc32)cc1
InChIInChI=1S/C30H31NO4/c1-20(2)34-25-14-10-24(11-15-25)31-28-17-16-27(18-23(28)19-29(31)30(32)33)35-26-12-8-22(9-13-26)21-6-4-3-5-7-21/h8-21H,3-7H2,1-2H3,(H,32,33)
InChIKeyYODSJBDYMHTGPU-UHFFFAOYSA-N
MW469.58 g/mol
LogP7.96
Rot. Bonds7

About 5-(4-cyclohexylphenoxy)-1-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid

5-(4-cyclohexylphenoxy)-1-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid (PubChem CID 44585955) has the molecular formula C30H31NO4 and a molecular weight of 469.58 g/mol. Its IUPAC name is 5-(4-cyclohexylphenoxy)-1-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-cyclohexylphenoxy)-1-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid
PubChem CID44585955
Molecular FormulaC30H31NO4
Molecular Weight469.58 g/mol
Exact Mass469.23
IUPAC Name5-(4-cyclohexylphenoxy)-1-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid
SMILESCC(C)Oc1ccc(-n2c(C(=O)O)cc3cc(Oc4ccc(C5CCCCC5)cc4)ccc32)cc1
InChIInChI=1S/C30H31NO4/c1-20(2)34-25-14-10-24(11-15-25)31-28-17-16-27(18-23(28)19-29(31)30(32)33)35-26-12-8-22(9-13-26)21-6-4-3-5-7-21/h8-21H,3-7H2,1-2H3,(H,32,33)
InChIKeyYODSJBDYMHTGPU-UHFFFAOYSA-N
XLogP7.96
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.58
LogP ≤ 57.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-cyclohexylphenoxy)-1-(4-propan-2-yloxyphenyl)indole-2-carboxylic 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 5-(4-cyclohexylphenoxy)-1-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid?
The IUPAC name of 5-(4-cyclohexylphenoxy)-1-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid (CID 44585955) is 5-(4-cyclohexylphenoxy)-1-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid.
What is the SMILES notation for 5-(4-cyclohexylphenoxy)-1-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid?
The canonical SMILES for 5-(4-cyclohexylphenoxy)-1-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid is CC(C)Oc1ccc(-n2c(C(=O)O)cc3cc(Oc4ccc(C5CCCCC5)cc4)ccc32)cc1.
What is the InChIKey of 5-(4-cyclohexylphenoxy)-1-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid?
The InChIKey is YODSJBDYMHTGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO4/c1-20(2)34-25-14-10-24(11-15-25)31-28-17-16-27(18-23(28)19-29(31)30(32)33)35-26-12-8-22(9-13-26)21-6-4-3-5-7-21/h8-21H,3-7H2,1-2H3,(H,32,33).
What are the key properties of 5-(4-cyclohexylphenoxy)-1-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid?
5-(4-cyclohexylphenoxy)-1-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid has a molecular weight of 469.58 g/mol, XLogP of 7.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclohexylphenoxy)-1-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid is sourced from PubChem (CID 44585955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).