(3-chloro-4-methylphenyl)-(1,6-dimethylindol-3-yl)methanone

C18H16ClNO — CID 116547045

IUPAC(3-chloro-4-methylphenyl)-(1,6-dimethylindol-3-yl)methanone
SMILESCc1ccc2c(C(=O)c3ccc(C)c(Cl)c3)cn(C)c2c1
InChIInChI=1S/C18H16ClNO/c1-11-4-7-14-15(10-20(3)17(14)8-11)18(21)13-6-5-12(2)16(19)9-13/h4-10H,1-3H3
InChIKeyJKTOIJDCSFIIDE-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.68
Rot. Bonds2

About (3-chloro-4-methylphenyl)-(1,6-dimethylindol-3-yl)methanone

(3-chloro-4-methylphenyl)-(1,6-dimethylindol-3-yl)methanone (PubChem CID 116547045) has the molecular formula C18H16ClNO and a molecular weight of 297.79 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(1,6-dimethylindol-3-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(1,6-dimethylindol-3-yl)methanone
PubChem CID116547045
Molecular FormulaC18H16ClNO
Molecular Weight297.79 g/mol
Exact Mass297.09
IUPAC Name(3-chloro-4-methylphenyl)-(1,6-dimethylindol-3-yl)methanone
SMILESCc1ccc2c(C(=O)c3ccc(C)c(Cl)c3)cn(C)c2c1
InChIInChI=1S/C18H16ClNO/c1-11-4-7-14-15(10-20(3)17(14)8-11)18(21)13-6-5-12(2)16(19)9-13/h4-10H,1-3H3
InChIKeyJKTOIJDCSFIIDE-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

(3,4-dichlorophenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116546949
(4-bromo-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116546991
(4-amino-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116547144
(4-aminophenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116547133
(1,6-dimethylindol-3-yl)-(5-methylfuran-3-yl)methanone
CID 114819754
(6-chloro-1-methylindol-3-yl)-(3,5-dimethylphenyl)methanone
CID 116650948
(6-chloro-1-methylindol-3-yl)-(3-chloro-5-methylphenyl)methanone
CID 116651068
(1,6-dimethylindol-3-yl)-(2-methylfuran-3-yl)methanone
CID 116546982
(5-bromo-4-methylthiophen-2-yl)-(1,6-dimethylindol-3-yl)methanone
CID 116546989
(3-bromo-2-methylphenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116547071
1-(1,6-dimethylindol-3-yl)-2,2-difluoroethanone
CID 103513702
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492857

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(1,6-dimethylindol-3-yl)methanone?
The IUPAC name of (3-chloro-4-methylphenyl)-(1,6-dimethylindol-3-yl)methanone (CID 116547045) is (3-chloro-4-methylphenyl)-(1,6-dimethylindol-3-yl)methanone.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(1,6-dimethylindol-3-yl)methanone?
The canonical SMILES for (3-chloro-4-methylphenyl)-(1,6-dimethylindol-3-yl)methanone is Cc1ccc2c(C(=O)c3ccc(C)c(Cl)c3)cn(C)c2c1.
What is the InChIKey of (3-chloro-4-methylphenyl)-(1,6-dimethylindol-3-yl)methanone?
The InChIKey is JKTOIJDCSFIIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO/c1-11-4-7-14-15(10-20(3)17(14)8-11)18(21)13-6-5-12(2)16(19)9-13/h4-10H,1-3H3.
What are the key properties of (3-chloro-4-methylphenyl)-(1,6-dimethylindol-3-yl)methanone?
(3-chloro-4-methylphenyl)-(1,6-dimethylindol-3-yl)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 (3-chloro-4-methylphenyl)-(1,6-dimethylindol-3-yl)methanone is sourced from PubChem (CID 116547045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).