1-(6-chloro-1-methylindol-3-yl)-2-(3-methylphenyl)ethanone

C18H16ClNO — CID 116651006

IUPAC1-(6-chloro-1-methylindol-3-yl)-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)c2cn(C)c3cc(Cl)ccc23)c1
InChIInChI=1S/C18H16ClNO/c1-12-4-3-5-13(8-12)9-18(21)16-11-20(2)17-10-14(19)6-7-15(16)17/h3-8,10-11H,9H2,1-2H3
InChIKeyHWGSLNJFGZFRDH-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.57
Rot. Bonds3

About 1-(6-chloro-1-methylindol-3-yl)-2-(3-methylphenyl)ethanone

1-(6-chloro-1-methylindol-3-yl)-2-(3-methylphenyl)ethanone (PubChem CID 116651006) has the molecular formula C18H16ClNO and a molecular weight of 297.79 g/mol. Its IUPAC name is 1-(6-chloro-1-methylindol-3-yl)-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(6-chloro-1-methylindol-3-yl)-2-(3-methylphenyl)ethanone
PubChem CID116651006
Molecular FormulaC18H16ClNO
Molecular Weight297.79 g/mol
Exact Mass297.09
IUPAC Name1-(6-chloro-1-methylindol-3-yl)-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)c2cn(C)c3cc(Cl)ccc23)c1
InChIInChI=1S/C18H16ClNO/c1-12-4-3-5-13(8-12)9-18(21)16-11-20(2)17-10-14(19)6-7-15(16)17/h3-8,10-11H,9H2,1-2H3
InChIKeyHWGSLNJFGZFRDH-UHFFFAOYSA-N
XLogP4.57
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-1-(6-chloro-1-methylindol-3-yl)ethanone
CID 116651087
1-(2-chloro-4-methylphenyl)-2-(3-methylphenyl)ethanone
CID 106861502
(6-chloro-1-methylindol-3-yl)-(3,5-dimethylphenyl)methanone
CID 116650948
(6-chloro-1-methylindol-3-yl)-(2,6-dichlorophenyl)methanone
CID 116651038
2-(3,4-dichlorophenyl)-1-(1-methylindol-3-yl)ethanone
CID 63490619
(6-chloro-1-methylindol-3-yl)-(2-ethylphenyl)methanone
CID 116651047
2-(3-fluorophenyl)-1-(1-methylindol-3-yl)ethanone
CID 43340234
1-(6-chloro-1-methylindol-3-yl)-3,4,4-trimethylpentan-1-one
CID 116650978
(6-chloro-1-methylindol-3-yl)-(3-chloro-5-methylphenyl)methanone
CID 116651068
2-(3-methoxyphenyl)-1-(1-methylindol-3-yl)ethanone
CID 43340241
1-(2-hydroxy-5-methylphenyl)-2-(3-methylphenyl)ethanone
CID 155671740
2-(3-chlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone
CID 105078195

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1-methylindol-3-yl)-2-(3-methylphenyl)ethanone?
The IUPAC name of 1-(6-chloro-1-methylindol-3-yl)-2-(3-methylphenyl)ethanone (CID 116651006) is 1-(6-chloro-1-methylindol-3-yl)-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-(6-chloro-1-methylindol-3-yl)-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-(6-chloro-1-methylindol-3-yl)-2-(3-methylphenyl)ethanone is Cc1cccc(CC(=O)c2cn(C)c3cc(Cl)ccc23)c1.
What is the InChIKey of 1-(6-chloro-1-methylindol-3-yl)-2-(3-methylphenyl)ethanone?
The InChIKey is HWGSLNJFGZFRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO/c1-12-4-3-5-13(8-12)9-18(21)16-11-20(2)17-10-14(19)6-7-15(16)17/h3-8,10-11H,9H2,1-2H3.
What are the key properties of 1-(6-chloro-1-methylindol-3-yl)-2-(3-methylphenyl)ethanone?
1-(6-chloro-1-methylindol-3-yl)-2-(3-methylphenyl)ethanone has a molecular weight of 297.79 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1-methylindol-3-yl)-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 116651006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).