1-(3,4-dimethylphenyl)-2-(5-propan-2-ylindol-1-yl)ethanone

C21H23NO — CID 110831104

IUPAC1-(3,4-dimethylphenyl)-2-(5-propan-2-ylindol-1-yl)ethanone
SMILESCc1ccc(C(=O)Cn2ccc3cc(C(C)C)ccc32)cc1C
InChIInChI=1S/C21H23NO/c1-14(2)17-7-8-20-18(12-17)9-10-22(20)13-21(23)19-6-5-15(3)16(4)11-19/h5-12,14H,13H2,1-4H3
InChIKeyPUBBCMCDPROAIW-UHFFFAOYSA-N
MW305.42 g/mol
LogP5.26
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-2-(5-propan-2-ylindol-1-yl)ethanone

1-(3,4-dimethylphenyl)-2-(5-propan-2-ylindol-1-yl)ethanone (PubChem CID 110831104) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-(5-propan-2-ylindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-(5-propan-2-ylindol-1-yl)ethanone
PubChem CID110831104
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name1-(3,4-dimethylphenyl)-2-(5-propan-2-ylindol-1-yl)ethanone
SMILESCc1ccc(C(=O)Cn2ccc3cc(C(C)C)ccc32)cc1C
InChIInChI=1S/C21H23NO/c1-14(2)17-7-8-20-18(12-17)9-10-22(20)13-21(23)19-6-5-15(3)16(4)11-19/h5-12,14H,13H2,1-4H3
InChIKeyPUBBCMCDPROAIW-UHFFFAOYSA-N
XLogP5.26
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.42
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dimethylphenyl)-2-(5-propan-2-ylindol-1-yl)acetamide
CID 110830986
1-(1H-indol-3-yl)-2-(5-propan-2-ylindol-1-yl)ethanone
CID 110831099
ethyl 4-[(5-propan-2-ylindol-1-yl)methyl]benzoate
CID 110831059
1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one
CID 80581295
N-cyclopentyl-2-(5-propan-2-ylindol-1-yl)acetamide
CID 110831029
1-(3,4-dimethylphenyl)-2-(2-methylimidazol-1-yl)ethanone
CID 43797940
1-(3-chlorophenyl)-2-(5-methylindol-1-yl)ethanone
CID 63554610
4-[2-(5-methylindol-1-yl)acetyl]benzonitrile
CID 63554605
2-(5-chloroindol-1-yl)-1-(4-methoxyphenyl)ethanone
CID 63878855
1-(1-ethylindol-5-yl)butan-1-one
CID 71284644
2-(5-fluoroindol-1-yl)-1-(3-fluorophenyl)ethanone
CID 63851474
2-(5-bromoindol-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 63567580

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-(5-propan-2-ylindol-1-yl)ethanone?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-(5-propan-2-ylindol-1-yl)ethanone (CID 110831104) is 1-(3,4-dimethylphenyl)-2-(5-propan-2-ylindol-1-yl)ethanone.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-(5-propan-2-ylindol-1-yl)ethanone?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-(5-propan-2-ylindol-1-yl)ethanone is Cc1ccc(C(=O)Cn2ccc3cc(C(C)C)ccc32)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-(5-propan-2-ylindol-1-yl)ethanone?
The InChIKey is PUBBCMCDPROAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-14(2)17-7-8-20-18(12-17)9-10-22(20)13-21(23)19-6-5-15(3)16(4)11-19/h5-12,14H,13H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-(5-propan-2-ylindol-1-yl)ethanone?
1-(3,4-dimethylphenyl)-2-(5-propan-2-ylindol-1-yl)ethanone has a molecular weight of 305.42 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-(5-propan-2-ylindol-1-yl)ethanone is sourced from PubChem (CID 110831104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).