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

C19H19NO — CID 143391090

IUPAC1-[2-methyl-1-[(2-methylphenyl)methyl]indol-3-yl]ethanone
SMILESCC(=O)c1c(C)n(Cc2ccccc2C)c2ccccc12
InChIInChI=1S/C19H19NO/c1-13-8-4-5-9-16(13)12-20-14(2)19(15(3)21)17-10-6-7-11-18(17)20/h4-11H,12H2,1-3H3
InChIKeySUWWHNJWYUSFBK-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.51
Rot. Bonds3

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

1-[2-methyl-1-[(2-methylphenyl)methyl]indol-3-yl]ethanone (PubChem CID 143391090) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[2-methyl-1-[(2-methylphenyl)methyl]indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-1-[(2-methylphenyl)methyl]indol-3-yl]ethanone
PubChem CID143391090
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name1-[2-methyl-1-[(2-methylphenyl)methyl]indol-3-yl]ethanone
SMILESCC(=O)c1c(C)n(Cc2ccccc2C)c2ccccc12
InChIInChI=1S/C19H19NO/c1-13-8-4-5-9-16(13)12-20-14(2)19(15(3)21)17-10-6-7-11-18(17)20/h4-11H,12H2,1-3H3
InChIKeySUWWHNJWYUSFBK-UHFFFAOYSA-N
XLogP4.51
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-acetyl-2-methylindol-1-yl)methyl]benzonitrile
CID 143390976
2-(3-acetyl-2-methylindol-1-yl)-1-piperidin-1-ylethanone
CID 3159855
1-[1-[2-(3,4-dimethylphenoxy)ethyl]-2-methylindol-3-yl]ethanone
CID 21380818
1-[2-methyl-1-[2-(4-methylphenoxy)ethyl]indol-3-yl]ethanone
CID 21380816
1-(1-benzyl-5-chloro-2-methylindol-3-yl)ethanone
CID 23552892
2-methyl-1-[(2-methylphenyl)methyl]indol-4-ol
CID 10848359
1-[1-[3-(2-chlorophenoxy)propyl]-2-methylindol-3-yl]ethanone
CID 21380832
5,7-dimethyl-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid
CID 94947547
2-methyl-1-[(3-methylphenyl)methyl]indole-3-carboxylic acid
CID 91690082
(4-methylnaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone
CID 45267819
3-[(cyclopropylamino)methyl]-1-[(2-methylphenyl)methyl]indole-2-carboxylic acid
CID 53207148
1-(2-chloro-1-propylindol-3-yl)ethanone
CID 82268364

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-1-[(2-methylphenyl)methyl]indol-3-yl]ethanone?
The IUPAC name of 1-[2-methyl-1-[(2-methylphenyl)methyl]indol-3-yl]ethanone (CID 143391090) is 1-[2-methyl-1-[(2-methylphenyl)methyl]indol-3-yl]ethanone.
What is the SMILES notation for 1-[2-methyl-1-[(2-methylphenyl)methyl]indol-3-yl]ethanone?
The canonical SMILES for 1-[2-methyl-1-[(2-methylphenyl)methyl]indol-3-yl]ethanone is CC(=O)c1c(C)n(Cc2ccccc2C)c2ccccc12.
What is the InChIKey of 1-[2-methyl-1-[(2-methylphenyl)methyl]indol-3-yl]ethanone?
The InChIKey is SUWWHNJWYUSFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-13-8-4-5-9-16(13)12-20-14(2)19(15(3)21)17-10-6-7-11-18(17)20/h4-11H,12H2,1-3H3.
What are the key properties of 1-[2-methyl-1-[(2-methylphenyl)methyl]indol-3-yl]ethanone?
1-[2-methyl-1-[(2-methylphenyl)methyl]indol-3-yl]ethanone has a molecular weight of 277.37 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-1-[(2-methylphenyl)methyl]indol-3-yl]ethanone is sourced from PubChem (CID 143391090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).