(4-bromophenyl)-(5-methyl-1H-indol-3-yl)methanone

C16H12BrNO — CID 63555156

IUPAC(4-bromophenyl)-(5-methyl-1H-indol-3-yl)methanone
SMILESCc1ccc2[nH]cc(C(=O)c3ccc(Br)cc3)c2c1
InChIInChI=1S/C16H12BrNO/c1-10-2-7-15-13(8-10)14(9-18-15)16(19)11-3-5-12(17)6-4-11/h2-9,18H,1H3
InChIKeyWIXKYOPKVMISJW-UHFFFAOYSA-N
MW314.18 g/mol
LogP4.47
Rot. Bonds2

About (4-bromophenyl)-(5-methyl-1H-indol-3-yl)methanone

(4-bromophenyl)-(5-methyl-1H-indol-3-yl)methanone (PubChem CID 63555156) has the molecular formula C16H12BrNO and a molecular weight of 314.18 g/mol. Its IUPAC name is (4-bromophenyl)-(5-methyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(5-methyl-1H-indol-3-yl)methanone
PubChem CID63555156
Molecular FormulaC16H12BrNO
Molecular Weight314.18 g/mol
Exact Mass313.01
IUPAC Name(4-bromophenyl)-(5-methyl-1H-indol-3-yl)methanone
SMILESCc1ccc2[nH]cc(C(=O)c3ccc(Br)cc3)c2c1
InChIInChI=1S/C16H12BrNO/c1-10-2-7-15-13(8-10)14(9-18-15)16(19)11-3-5-12(17)6-4-11/h2-9,18H,1H3
InChIKeyWIXKYOPKVMISJW-UHFFFAOYSA-N
XLogP4.47
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555318
(5-chloro-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 59430906
(5-methyl-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 63555314
(5-bromo-1H-indol-3-yl)-(4-propan-2-ylphenyl)methanone
CID 43340394
(5-bromo-1H-indol-3-yl)-(2-fluoro-5-methylphenyl)methanone
CID 62514797
(5-amino-2,4-dimethylphenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 102707031
(5-bromo-1H-indol-3-yl)-(3-chloro-5-methylphenyl)methanone
CID 81324072
(3-bromo-4-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 81472433
(2-bromo-6-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 114558734
(2,5-dichlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555332
(2-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555321
(5-methyl-1H-indol-3-yl)-(2,4,6-trifluorophenyl)methanone
CID 65101248

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(5-methyl-1H-indol-3-yl)methanone?
The IUPAC name of (4-bromophenyl)-(5-methyl-1H-indol-3-yl)methanone (CID 63555156) is (4-bromophenyl)-(5-methyl-1H-indol-3-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(5-methyl-1H-indol-3-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(5-methyl-1H-indol-3-yl)methanone is Cc1ccc2[nH]cc(C(=O)c3ccc(Br)cc3)c2c1.
What is the InChIKey of (4-bromophenyl)-(5-methyl-1H-indol-3-yl)methanone?
The InChIKey is WIXKYOPKVMISJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO/c1-10-2-7-15-13(8-10)14(9-18-15)16(19)11-3-5-12(17)6-4-11/h2-9,18H,1H3.
What are the key properties of (4-bromophenyl)-(5-methyl-1H-indol-3-yl)methanone?
(4-bromophenyl)-(5-methyl-1H-indol-3-yl)methanone has a molecular weight of 314.18 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(5-methyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 63555156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).