3-cyclohexyl-1-methyl-2-phenylindole-6-carboxylic acid

C22H23NO2 — CID 514257

IUPAC3-cyclohexyl-1-methyl-2-phenylindole-6-carboxylic acid
SMILESCn1c(-c2ccccc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21
InChIInChI=1S/C22H23NO2/c1-23-19-14-17(22(24)25)12-13-18(19)20(15-8-4-2-5-9-15)21(23)16-10-6-3-7-11-16/h3,6-7,10-15H,2,4-5,8-9H2,1H3,(H,24,25)
InChIKeyBTHWMJUPMGCKFS-UHFFFAOYSA-N
MW333.43 g/mol
LogP5.59
Rot. Bonds3

About 3-cyclohexyl-1-methyl-2-phenylindole-6-carboxylic acid

3-cyclohexyl-1-methyl-2-phenylindole-6-carboxylic acid (PubChem CID 514257) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-cyclohexyl-1-methyl-2-phenylindole-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclohexyl-1-methyl-2-phenylindole-6-carboxylic acid
PubChem CID514257
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name3-cyclohexyl-1-methyl-2-phenylindole-6-carboxylic acid
SMILESCn1c(-c2ccccc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21
InChIInChI=1S/C22H23NO2/c1-23-19-14-17(22(24)25)12-13-18(19)20(15-8-4-2-5-9-15)21(23)16-10-6-3-7-11-16/h3,6-7,10-15H,2,4-5,8-9H2,1H3,(H,24,25)
InChIKeyBTHWMJUPMGCKFS-UHFFFAOYSA-N
XLogP5.59
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclohexyl-1-methyl-2-phenylindole-6-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

Related Compounds

CID 8593
CID 8593
CID 57030
CID 57030
CID 4369534
CID 4369534
CID 1543
CID 1543
CID 826252
CID 826252
CID 673710
CID 673710
CID 2063288
CID 2063288
CID 563822
CID 563822
CID 711638
CID 711638
CID 10017976
CID 10017976
CID 33671
CID 33671
CID 1830299
CID 1830299

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-methyl-2-phenylindole-6-carboxylic acid?
The IUPAC name of 3-cyclohexyl-1-methyl-2-phenylindole-6-carboxylic acid (CID 514257) is 3-cyclohexyl-1-methyl-2-phenylindole-6-carboxylic acid.
What is the SMILES notation for 3-cyclohexyl-1-methyl-2-phenylindole-6-carboxylic acid?
The canonical SMILES for 3-cyclohexyl-1-methyl-2-phenylindole-6-carboxylic acid is Cn1c(-c2ccccc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21.
What is the InChIKey of 3-cyclohexyl-1-methyl-2-phenylindole-6-carboxylic acid?
The InChIKey is BTHWMJUPMGCKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-23-19-14-17(22(24)25)12-13-18(19)20(15-8-4-2-5-9-15)21(23)16-10-6-3-7-11-16/h3,6-7,10-15H,2,4-5,8-9H2,1H3,(H,24,25).
What are the key properties of 3-cyclohexyl-1-methyl-2-phenylindole-6-carboxylic acid?
3-cyclohexyl-1-methyl-2-phenylindole-6-carboxylic acid has a molecular weight of 333.43 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-methyl-2-phenylindole-6-carboxylic acid is sourced from PubChem (CID 514257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).