2-(4-chlorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]-5-phenylmethoxyindole

C30H26ClNO — CID 134335662

IUPAC2-(4-chlorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]-5-phenylmethoxyindole
SMILESCc1ccc(Cn2c(-c3ccc(Cl)cc3)c(C)c3cc(OCc4ccccc4)ccc32)cc1
InChIInChI=1S/C30H26ClNO/c1-21-8-10-23(11-9-21)19-32-29-17-16-27(33-20-24-6-4-3-5-7-24)18-28(29)22(2)30(32)25-12-14-26(31)15-13-25/h3-18H,19-20H2,1-2H3
InChIKeyHEFFRTSPMANDEO-UHFFFAOYSA-N
MW452.00 g/mol
LogP8.21
Rot. Bonds6

About 2-(4-chlorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]-5-phenylmethoxyindole

2-(4-chlorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]-5-phenylmethoxyindole (PubChem CID 134335662) has the molecular formula C30H26ClNO and a molecular weight of 452.00 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]-5-phenylmethoxyindole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]-5-phenylmethoxyindole
PubChem CID134335662
Molecular FormulaC30H26ClNO
Molecular Weight452.00 g/mol
Exact Mass451.17
IUPAC Name2-(4-chlorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]-5-phenylmethoxyindole
SMILESCc1ccc(Cn2c(-c3ccc(Cl)cc3)c(C)c3cc(OCc4ccccc4)ccc32)cc1
InChIInChI=1S/C30H26ClNO/c1-21-8-10-23(11-9-21)19-32-29-17-16-27(33-20-24-6-4-3-5-7-24)18-28(29)22(2)30(32)25-12-14-26(31)15-13-25/h3-18H,19-20H2,1-2H3
InChIKeyHEFFRTSPMANDEO-UHFFFAOYSA-N
XLogP8.21
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.00
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]-5-phenylmethoxyindole 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 2-(4-chlorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]-5-phenylmethoxyindole?
The IUPAC name of 2-(4-chlorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]-5-phenylmethoxyindole (CID 134335662) is 2-(4-chlorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]-5-phenylmethoxyindole.
What is the SMILES notation for 2-(4-chlorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]-5-phenylmethoxyindole?
The canonical SMILES for 2-(4-chlorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]-5-phenylmethoxyindole is Cc1ccc(Cn2c(-c3ccc(Cl)cc3)c(C)c3cc(OCc4ccccc4)ccc32)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]-5-phenylmethoxyindole?
The InChIKey is HEFFRTSPMANDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClNO/c1-21-8-10-23(11-9-21)19-32-29-17-16-27(33-20-24-6-4-3-5-7-24)18-28(29)22(2)30(32)25-12-14-26(31)15-13-25/h3-18H,19-20H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]-5-phenylmethoxyindole?
2-(4-chlorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]-5-phenylmethoxyindole has a molecular weight of 452.00 g/mol, XLogP of 8.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]-5-phenylmethoxyindole is sourced from PubChem (CID 134335662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).