(6-chloro-1-methylindol-3-yl)-(3,5-dimethylphenyl)methanone

C18H16ClNO — CID 116650948

IUPAC(6-chloro-1-methylindol-3-yl)-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)c2cn(C)c3cc(Cl)ccc23)c1
InChIInChI=1S/C18H16ClNO/c1-11-6-12(2)8-13(7-11)18(21)16-10-20(3)17-9-14(19)4-5-15(16)17/h4-10H,1-3H3
InChIKeyPCWNJDKMOBVWET-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.68
Rot. Bonds2

About (6-chloro-1-methylindol-3-yl)-(3,5-dimethylphenyl)methanone

(6-chloro-1-methylindol-3-yl)-(3,5-dimethylphenyl)methanone (PubChem CID 116650948) has the molecular formula C18H16ClNO and a molecular weight of 297.79 g/mol. Its IUPAC name is (6-chloro-1-methylindol-3-yl)-(3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(6-chloro-1-methylindol-3-yl)-(3,5-dimethylphenyl)methanone
PubChem CID116650948
Molecular FormulaC18H16ClNO
Molecular Weight297.79 g/mol
Exact Mass297.09
IUPAC Name(6-chloro-1-methylindol-3-yl)-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)c2cn(C)c3cc(Cl)ccc23)c1
InChIInChI=1S/C18H16ClNO/c1-11-6-12(2)8-13(7-11)18(21)16-10-20(3)17-9-14(19)4-5-15(16)17/h4-10H,1-3H3
InChIKeyPCWNJDKMOBVWET-UHFFFAOYSA-N
XLogP4.68
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6-chloro-1-methylindol-3-yl)-(3-chloro-5-methylphenyl)methanone
CID 116651068
(6-chloro-1-methylindol-3-yl)-(2,6-dichlorophenyl)methanone
CID 116651038
(3,4-dichlorophenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116546949
(4-aminophenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116547133
(3-chloro-4-methylphenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116547045
(6-chloro-1-methylindol-3-yl)-(2-ethylphenyl)methanone
CID 116651047
(4-bromo-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116546991
(4-amino-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116547144
(2,5-dichlorophenyl)-(3,5-dimethylphenyl)methanone
CID 43344611
(1,6-dimethylindol-3-yl)-(5-methylfuran-3-yl)methanone
CID 114819754
1-(6-chloro-1-methylindol-3-yl)-2-(3-methylphenyl)ethanone
CID 116651006
(6-chloro-1-methylindol-3-yl)-(4-methoxythiophen-2-yl)methanone
CID 116651031

Frequently Asked Questions

What is the IUPAC name of (6-chloro-1-methylindol-3-yl)-(3,5-dimethylphenyl)methanone?
The IUPAC name of (6-chloro-1-methylindol-3-yl)-(3,5-dimethylphenyl)methanone (CID 116650948) is (6-chloro-1-methylindol-3-yl)-(3,5-dimethylphenyl)methanone.
What is the SMILES notation for (6-chloro-1-methylindol-3-yl)-(3,5-dimethylphenyl)methanone?
The canonical SMILES for (6-chloro-1-methylindol-3-yl)-(3,5-dimethylphenyl)methanone is Cc1cc(C)cc(C(=O)c2cn(C)c3cc(Cl)ccc23)c1.
What is the InChIKey of (6-chloro-1-methylindol-3-yl)-(3,5-dimethylphenyl)methanone?
The InChIKey is PCWNJDKMOBVWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO/c1-11-6-12(2)8-13(7-11)18(21)16-10-20(3)17-9-14(19)4-5-15(16)17/h4-10H,1-3H3.
What are the key properties of (6-chloro-1-methylindol-3-yl)-(3,5-dimethylphenyl)methanone?
(6-chloro-1-methylindol-3-yl)-(3,5-dimethylphenyl)methanone has a molecular weight of 297.79 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1-methylindol-3-yl)-(3,5-dimethylphenyl)methanone is sourced from PubChem (CID 116650948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).