2-(3-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone

C26H25NO — CID 123148407

IUPAC2-(3-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone
SMILESCc1cccc(CC(=O)n2cc(-c3ccccc3C(C)C)c3ccccc32)c1
InChIInChI=1S/C26H25NO/c1-18(2)21-11-4-5-12-22(21)24-17-27(25-14-7-6-13-23(24)25)26(28)16-20-10-8-9-19(3)15-20/h4-15,17-18H,16H2,1-3H3
InChIKeyBBOLXXLKOZDCJZ-UHFFFAOYSA-N
MW367.49 g/mol
LogP6.62
Rot. Bonds4

About 2-(3-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone

2-(3-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone (PubChem CID 123148407) has the molecular formula C26H25NO and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone
PubChem CID123148407
Molecular FormulaC26H25NO
Molecular Weight367.49 g/mol
Exact Mass367.19
IUPAC Name2-(3-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone
SMILESCc1cccc(CC(=O)n2cc(-c3ccccc3C(C)C)c3ccccc32)c1
InChIInChI=1S/C26H25NO/c1-18(2)21-11-4-5-12-22(21)24-17-27(25-14-7-6-13-23(24)25)26(28)16-20-10-8-9-19(3)15-20/h4-15,17-18H,16H2,1-3H3
InChIKeyBBOLXXLKOZDCJZ-UHFFFAOYSA-N
XLogP6.62
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluoro-4-methylphenyl)-3-(2-propan-2-ylphenyl)indole-1-carboxamide;molecular hydrogen
CID 143659408
3-(2-propan-2-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)indole-1-carboxamide
CID 25109392
azanium 2-(3-methylphenyl)acetate
CID 141323779
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 90535158
1-(3-methylphenyl)-3-phenylpropan-2-one
CID 14882321
1-[2-(3-methylphenyl)acetyl]fluoren-9-one
CID 123450331
N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide
CID 113084958
N-[2,6-di(propan-2-yl)phenyl]-2-[[2-(3-methylphenyl)phenyl]methylamino]acetamide
CID 67942737
3-methyl-1-(3-methylphenyl)pentan-2-one
CID 62388886
1-(3-methylphenyl)-3-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)propan-2-one
CID 143865279
1-methyl-3-[(3-methylphenyl)methylsulfanyl]indole
CID 43949269
N-benzyl-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
CID 3336280

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone?
The IUPAC name of 2-(3-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone (CID 123148407) is 2-(3-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone.
What is the SMILES notation for 2-(3-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone?
The canonical SMILES for 2-(3-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone is Cc1cccc(CC(=O)n2cc(-c3ccccc3C(C)C)c3ccccc32)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone?
The InChIKey is BBOLXXLKOZDCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO/c1-18(2)21-11-4-5-12-22(21)24-17-27(25-14-7-6-13-23(24)25)26(28)16-20-10-8-9-19(3)15-20/h4-15,17-18H,16H2,1-3H3.
What are the key properties of 2-(3-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone?
2-(3-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone has a molecular weight of 367.49 g/mol, XLogP of 6.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone is sourced from PubChem (CID 123148407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).