2-methyl-1-(2-phenylethyl)-5-phenylmethoxyindole-3-carbaldehyde

C25H23NO2 — CID 99991388

IUPAC2-methyl-1-(2-phenylethyl)-5-phenylmethoxyindole-3-carbaldehyde
SMILESCc1c(C=O)c2cc(OCc3ccccc3)ccc2n1CCc1ccccc1
InChIInChI=1S/C25H23NO2/c1-19-24(17-27)23-16-22(28-18-21-10-6-3-7-11-21)12-13-25(23)26(19)15-14-20-8-4-2-5-9-20/h2-13,16-17H,14-15,18H2,1H3
InChIKeyOPWXFRLOFCABJT-UHFFFAOYSA-N
MW369.46 g/mol
LogP5.58
Rot. Bonds7

About 2-methyl-1-(2-phenylethyl)-5-phenylmethoxyindole-3-carbaldehyde

2-methyl-1-(2-phenylethyl)-5-phenylmethoxyindole-3-carbaldehyde (PubChem CID 99991388) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is 2-methyl-1-(2-phenylethyl)-5-phenylmethoxyindole-3-carbaldehyde.

Molecular Properties

Compound Name2-methyl-1-(2-phenylethyl)-5-phenylmethoxyindole-3-carbaldehyde
PubChem CID99991388
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name2-methyl-1-(2-phenylethyl)-5-phenylmethoxyindole-3-carbaldehyde
SMILESCc1c(C=O)c2cc(OCc3ccccc3)ccc2n1CCc1ccccc1
InChIInChI=1S/C25H23NO2/c1-19-24(17-27)23-16-22(28-18-21-10-6-3-7-11-21)12-13-25(23)26(19)15-14-20-8-4-2-5-9-20/h2-13,16-17H,14-15,18H2,1H3
InChIKeyOPWXFRLOFCABJT-UHFFFAOYSA-N
XLogP5.58
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-2-methyl-5-phenylmethoxyindole-3-carbaldehyde
CID 99991385
2-methyl-1-(2-methylpropyl)-5-phenylmethoxyindole-3-carbaldehyde
CID 99991379
5-ethoxy-2-methyl-1-propylindole-3-carbaldehyde
CID 99991192
1,3-dimethyl-5-phenylmethoxyindole
CID 23383486
ethane;1-(2-phenylethyl)-5-phenylmethoxyindole
CID 145371075
2-methyl-1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindole-3-carboxylic acid
CID 18373351
1-[3-(dimethylamino)propyl]-5-methoxy-2-methylindole-3-carbaldehyde
CID 58004720
2-[2-[4-[[3-fluoro-2-(2-methylphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethyl]isoindole-1,3-dione
CID 139336363
2-[1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylmethoxyindol-3-yl]acetic acid
CID 19935726
4-methyl-6-phenylmethoxyquinoline-2-carbaldehyde
CID 82573841
2-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]indole-3-carbaldehyde
CID 150305431
2-methyl-4,6-bis(phenylmethoxy)benzaldehyde
CID 11359497

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-phenylethyl)-5-phenylmethoxyindole-3-carbaldehyde?
The IUPAC name of 2-methyl-1-(2-phenylethyl)-5-phenylmethoxyindole-3-carbaldehyde (CID 99991388) is 2-methyl-1-(2-phenylethyl)-5-phenylmethoxyindole-3-carbaldehyde.
What is the SMILES notation for 2-methyl-1-(2-phenylethyl)-5-phenylmethoxyindole-3-carbaldehyde?
The canonical SMILES for 2-methyl-1-(2-phenylethyl)-5-phenylmethoxyindole-3-carbaldehyde is Cc1c(C=O)c2cc(OCc3ccccc3)ccc2n1CCc1ccccc1.
What is the InChIKey of 2-methyl-1-(2-phenylethyl)-5-phenylmethoxyindole-3-carbaldehyde?
The InChIKey is OPWXFRLOFCABJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO2/c1-19-24(17-27)23-16-22(28-18-21-10-6-3-7-11-21)12-13-25(23)26(19)15-14-20-8-4-2-5-9-20/h2-13,16-17H,14-15,18H2,1H3.
What are the key properties of 2-methyl-1-(2-phenylethyl)-5-phenylmethoxyindole-3-carbaldehyde?
2-methyl-1-(2-phenylethyl)-5-phenylmethoxyindole-3-carbaldehyde has a molecular weight of 369.46 g/mol, XLogP of 5.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-phenylethyl)-5-phenylmethoxyindole-3-carbaldehyde is sourced from PubChem (CID 99991388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).