(4-methylphenyl)-[1-(2-methylpropyl)indol-3-yl]methanone

C20H21NO — CID 102235826

IUPAC(4-methylphenyl)-[1-(2-methylpropyl)indol-3-yl]methanone
SMILESCc1ccc(C(=O)c2cn(CC(C)C)c3ccccc23)cc1
InChIInChI=1S/C20H21NO/c1-14(2)12-21-13-18(17-6-4-5-7-19(17)21)20(22)16-10-8-15(3)9-11-16/h4-11,13-14H,12H2,1-3H3
InChIKeyYHHVYRVOOAJKGX-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.84
Rot. Bonds4

About (4-methylphenyl)-[1-(2-methylpropyl)indol-3-yl]methanone

(4-methylphenyl)-[1-(2-methylpropyl)indol-3-yl]methanone (PubChem CID 102235826) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is (4-methylphenyl)-[1-(2-methylpropyl)indol-3-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[1-(2-methylpropyl)indol-3-yl]methanone
PubChem CID102235826
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name(4-methylphenyl)-[1-(2-methylpropyl)indol-3-yl]methanone
SMILESCc1ccc(C(=O)c2cn(CC(C)C)c3ccccc23)cc1
InChIInChI=1S/C20H21NO/c1-14(2)12-21-13-18(17-6-4-5-7-19(17)21)20(22)16-10-8-15(3)9-11-16/h4-11,13-14H,12H2,1-3H3
InChIKeyYHHVYRVOOAJKGX-UHFFFAOYSA-N
XLogP4.84
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylphenyl)-(1-propylindol-3-yl)methanone
CID 170857121
(4-methylphenyl)-(1-pentylindol-3-yl)methanone
CID 170857148
(3-fluorophenyl)-[1-(2-methylpropyl)indol-3-yl]methanone
CID 170857242
(1-butan-2-ylindol-3-yl)-(4-methylphenyl)methanone
CID 170857237
1-(3-benzoylindol-1-yl)-3-(4-methylphenyl)propan-2-one
CID 164961814
N-(1-hydroxypropan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide
CID 110900843
[2-(methylamino)-2-oxoethyl] 1-(2-methylpropyl)indole-3-carboxylate
CID 87020117
2-(3-benzoylindol-1-yl)-N-propan-2-ylacetamide
CID 972360
(3-iodophenyl)-[1-(3-methylbutyl)indol-3-yl]methanone
CID 170857321
(4-iodophenyl)-(1-prop-2-enylindol-3-yl)methanone
CID 170857263
(1-decylindol-3-yl)-(4-iodophenyl)methanone
CID 170857204
N-[2-(dimethylcarbamoyl)phenyl]-1-(2-methylpropyl)indole-3-carboxamide
CID 87036364

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[1-(2-methylpropyl)indol-3-yl]methanone?
The IUPAC name of (4-methylphenyl)-[1-(2-methylpropyl)indol-3-yl]methanone (CID 102235826) is (4-methylphenyl)-[1-(2-methylpropyl)indol-3-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[1-(2-methylpropyl)indol-3-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[1-(2-methylpropyl)indol-3-yl]methanone is Cc1ccc(C(=O)c2cn(CC(C)C)c3ccccc23)cc1.
What is the InChIKey of (4-methylphenyl)-[1-(2-methylpropyl)indol-3-yl]methanone?
The InChIKey is YHHVYRVOOAJKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-14(2)12-21-13-18(17-6-4-5-7-19(17)21)20(22)16-10-8-15(3)9-11-16/h4-11,13-14H,12H2,1-3H3.
What are the key properties of (4-methylphenyl)-[1-(2-methylpropyl)indol-3-yl]methanone?
(4-methylphenyl)-[1-(2-methylpropyl)indol-3-yl]methanone has a molecular weight of 291.39 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[1-(2-methylpropyl)indol-3-yl]methanone is sourced from PubChem (CID 102235826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).