(3-bromo-2-methylphenyl)-(1,6-dimethylindol-3-yl)methanone

C18H16BrNO — CID 116547071

IUPAC(3-bromo-2-methylphenyl)-(1,6-dimethylindol-3-yl)methanone
SMILESCc1ccc2c(C(=O)c3cccc(Br)c3C)cn(C)c2c1
InChIInChI=1S/C18H16BrNO/c1-11-7-8-14-15(10-20(3)17(14)9-11)18(21)13-5-4-6-16(19)12(13)2/h4-10H,1-3H3
InChIKeyPFGYXRVVCVRXGP-UHFFFAOYSA-N
MW342.24 g/mol
LogP4.79
Rot. Bonds2

About (3-bromo-2-methylphenyl)-(1,6-dimethylindol-3-yl)methanone

(3-bromo-2-methylphenyl)-(1,6-dimethylindol-3-yl)methanone (PubChem CID 116547071) has the molecular formula C18H16BrNO and a molecular weight of 342.24 g/mol. Its IUPAC name is (3-bromo-2-methylphenyl)-(1,6-dimethylindol-3-yl)methanone.

Molecular Properties

Compound Name(3-bromo-2-methylphenyl)-(1,6-dimethylindol-3-yl)methanone
PubChem CID116547071
Molecular FormulaC18H16BrNO
Molecular Weight342.24 g/mol
Exact Mass341.04
IUPAC Name(3-bromo-2-methylphenyl)-(1,6-dimethylindol-3-yl)methanone
SMILESCc1ccc2c(C(=O)c3cccc(Br)c3C)cn(C)c2c1
InChIInChI=1S/C18H16BrNO/c1-11-7-8-14-15(10-20(3)17(14)9-11)18(21)13-5-4-6-16(19)12(13)2/h4-10H,1-3H3
InChIKeyPFGYXRVVCVRXGP-UHFFFAOYSA-N
XLogP4.79
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-amino-2-bromophenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116547115
(2-bromo-5-methylphenyl)-(1-methylindol-3-yl)methanone
CID 81111128
(4-bromo-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116546991
(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
(4-aminophenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116547133
(1,6-dimethylindol-3-yl)-(5-methylfuran-3-yl)methanone
CID 114819754
(3,4-dichlorophenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116546949
1-(1,6-dimethylindol-3-yl)-2,2-difluoroethanone
CID 103513702
(3-chloro-4-methylphenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116547045
(4-amino-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116547144
(6-chloro-1-methylindol-3-yl)-(2-ethylphenyl)methanone
CID 116651047

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-methylphenyl)-(1,6-dimethylindol-3-yl)methanone?
The IUPAC name of (3-bromo-2-methylphenyl)-(1,6-dimethylindol-3-yl)methanone (CID 116547071) is (3-bromo-2-methylphenyl)-(1,6-dimethylindol-3-yl)methanone.
What is the SMILES notation for (3-bromo-2-methylphenyl)-(1,6-dimethylindol-3-yl)methanone?
The canonical SMILES for (3-bromo-2-methylphenyl)-(1,6-dimethylindol-3-yl)methanone is Cc1ccc2c(C(=O)c3cccc(Br)c3C)cn(C)c2c1.
What is the InChIKey of (3-bromo-2-methylphenyl)-(1,6-dimethylindol-3-yl)methanone?
The InChIKey is PFGYXRVVCVRXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO/c1-11-7-8-14-15(10-20(3)17(14)9-11)18(21)13-5-4-6-16(19)12(13)2/h4-10H,1-3H3.
What are the key properties of (3-bromo-2-methylphenyl)-(1,6-dimethylindol-3-yl)methanone?
(3-bromo-2-methylphenyl)-(1,6-dimethylindol-3-yl)methanone has a molecular weight of 342.24 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-methylphenyl)-(1,6-dimethylindol-3-yl)methanone is sourced from PubChem (CID 116547071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).