1-benzyl-2-methyl-5-phenylmethoxyindole-3-carbaldehyde

C24H21NO2 — CID 99991385

IUPAC1-benzyl-2-methyl-5-phenylmethoxyindole-3-carbaldehyde
SMILESCc1c(C=O)c2cc(OCc3ccccc3)ccc2n1Cc1ccccc1
InChIInChI=1S/C24H21NO2/c1-18-23(16-26)22-14-21(27-17-20-10-6-3-7-11-20)12-13-24(22)25(18)15-19-8-4-2-5-9-19/h2-14,16H,15,17H2,1H3
InChIKeySINFHQFIGWUOGM-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.39
Rot. Bonds6

About 1-benzyl-2-methyl-5-phenylmethoxyindole-3-carbaldehyde

1-benzyl-2-methyl-5-phenylmethoxyindole-3-carbaldehyde (PubChem CID 99991385) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-benzyl-2-methyl-5-phenylmethoxyindole-3-carbaldehyde.

Molecular Properties

Compound Name1-benzyl-2-methyl-5-phenylmethoxyindole-3-carbaldehyde
PubChem CID99991385
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name1-benzyl-2-methyl-5-phenylmethoxyindole-3-carbaldehyde
SMILESCc1c(C=O)c2cc(OCc3ccccc3)ccc2n1Cc1ccccc1
InChIInChI=1S/C24H21NO2/c1-18-23(16-26)22-14-21(27-17-20-10-6-3-7-11-20)12-13-24(22)25(18)15-19-8-4-2-5-9-19/h2-14,16H,15,17H2,1H3
InChIKeySINFHQFIGWUOGM-UHFFFAOYSA-N
XLogP5.39
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-benzyl-2-methyl-5-phenylmethoxyindole-3-carbaldehyde 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

2-methyl-1-(2-phenylethyl)-5-phenylmethoxyindole-3-carbaldehyde
CID 99991388
2-methyl-1-(2-methylpropyl)-5-phenylmethoxyindole-3-carbaldehyde
CID 99991379
2-[1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylmethoxyindol-3-yl]acetic acid
CID 19935726
2-methyl-1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindole-3-carboxylic acid
CID 18373351
1-benzyl-4-hydroxy-6-phenylmethoxyquinolin-2-one
CID 54729466
2-[5-methoxy-2-methyl-1-[(4-phenylmethoxyphenyl)methyl]indol-3-yl]acetic acid
CID 21191889
5-ethoxy-2-methyl-1-propylindole-3-carbaldehyde
CID 99991192
1-benzyl-5-(2-chloroethoxy)-2-methylindole-3-carboxylic acid
CID 22311809
2-(4-chlorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]-5-phenylmethoxyindole
CID 134335662
1-[(3,4-dichlorophenyl)methyl]-2-methylindole-3-carbaldehyde
CID 879291
ethyl 2-(3-acetyl-1-benzyl-2-methylindol-5-yl)oxyacetate
CID 1082711
5-methyl-1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde
CID 155672688

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methyl-5-phenylmethoxyindole-3-carbaldehyde?
The IUPAC name of 1-benzyl-2-methyl-5-phenylmethoxyindole-3-carbaldehyde (CID 99991385) is 1-benzyl-2-methyl-5-phenylmethoxyindole-3-carbaldehyde.
What is the SMILES notation for 1-benzyl-2-methyl-5-phenylmethoxyindole-3-carbaldehyde?
The canonical SMILES for 1-benzyl-2-methyl-5-phenylmethoxyindole-3-carbaldehyde is Cc1c(C=O)c2cc(OCc3ccccc3)ccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-methyl-5-phenylmethoxyindole-3-carbaldehyde?
The InChIKey is SINFHQFIGWUOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2/c1-18-23(16-26)22-14-21(27-17-20-10-6-3-7-11-20)12-13-24(22)25(18)15-19-8-4-2-5-9-19/h2-14,16H,15,17H2,1H3.
What are the key properties of 1-benzyl-2-methyl-5-phenylmethoxyindole-3-carbaldehyde?
1-benzyl-2-methyl-5-phenylmethoxyindole-3-carbaldehyde has a molecular weight of 355.44 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-methyl-5-phenylmethoxyindole-3-carbaldehyde is sourced from PubChem (CID 99991385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).