1-[1-(4-bromophenyl)ethyl]-6,6-dimethyl-5,7-dihydroindol-4-one

C18H20BrNO — CID 63465155

IUPAC1-[1-(4-bromophenyl)ethyl]-6,6-dimethyl-5,7-dihydroindol-4-one
SMILESCC(c1ccc(Br)cc1)n1ccc2c1CC(C)(C)CC2=O
InChIInChI=1S/C18H20BrNO/c1-12(13-4-6-14(19)7-5-13)20-9-8-15-16(20)10-18(2,3)11-17(15)21/h4-9,12H,10-11H2,1-3H3
InChIKeyMAQIDXVDFLHSCY-UHFFFAOYSA-N
MW346.27 g/mol
LogP5.01
Rot. Bonds2

About 1-[1-(4-bromophenyl)ethyl]-6,6-dimethyl-5,7-dihydroindol-4-one

1-[1-(4-bromophenyl)ethyl]-6,6-dimethyl-5,7-dihydroindol-4-one (PubChem CID 63465155) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)ethyl]-6,6-dimethyl-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)ethyl]-6,6-dimethyl-5,7-dihydroindol-4-one
PubChem CID63465155
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name1-[1-(4-bromophenyl)ethyl]-6,6-dimethyl-5,7-dihydroindol-4-one
SMILESCC(c1ccc(Br)cc1)n1ccc2c1CC(C)(C)CC2=O
InChIInChI=1S/C18H20BrNO/c1-12(13-4-6-14(19)7-5-13)20-9-8-15-16(20)10-18(2,3)11-17(15)21/h4-9,12H,10-11H2,1-3H3
InChIKeyMAQIDXVDFLHSCY-UHFFFAOYSA-N
XLogP5.01
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.27
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,6-dimethyl-1-(5-methylhexan-2-yl)-5,7-dihydroindol-4-one
CID 63925944
6,6-dimethyl-1-(1-phenylpropyl)-5,7-dihydroindol-4-one
CID 62303894
6,6-dimethyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-5,7-dihydroindol-4-one
CID 62640255
6,6-dimethyl-1-(5-methylhexyl)-5,7-dihydroindol-4-one
CID 113287789
1-(3-ethylpentan-3-yl)-6,6-dimethyl-5,7-dihydroindol-4-one
CID 65039119
6,6-dimethyl-1-[(1-methylcyclopentyl)methyl]-5,7-dihydroindol-4-one
CID 55261214
1-(2-hydroxycyclohexyl)-6,6-dimethyl-5,7-dihydroindol-4-one
CID 62359808
4-[2-(4-bromophenyl)-6,6-dimethyl-4-oxo-5,7-dihydroindol-1-yl]benzenesulfonamide
CID 4031441
1-(2-cyclopentylethyl)-6,6-dimethyl-5,7-dihydroindol-4-one
CID 55191900
1-(cyclohexylmethyl)-6,6-dimethyl-5,7-dihydroindol-4-one
CID 63465339
1-[[1-(dimethylamino)cyclopentyl]methyl]-6,6-dimethyl-5,7-dihydroindol-4-one
CID 83113945
1-(4-ethylcyclohexyl)-6,6-dimethyl-5,7-dihydroindol-4-one
CID 63466947

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)ethyl]-6,6-dimethyl-5,7-dihydroindol-4-one?
The IUPAC name of 1-[1-(4-bromophenyl)ethyl]-6,6-dimethyl-5,7-dihydroindol-4-one (CID 63465155) is 1-[1-(4-bromophenyl)ethyl]-6,6-dimethyl-5,7-dihydroindol-4-one.
What is the SMILES notation for 1-[1-(4-bromophenyl)ethyl]-6,6-dimethyl-5,7-dihydroindol-4-one?
The canonical SMILES for 1-[1-(4-bromophenyl)ethyl]-6,6-dimethyl-5,7-dihydroindol-4-one is CC(c1ccc(Br)cc1)n1ccc2c1CC(C)(C)CC2=O.
What is the InChIKey of 1-[1-(4-bromophenyl)ethyl]-6,6-dimethyl-5,7-dihydroindol-4-one?
The InChIKey is MAQIDXVDFLHSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-12(13-4-6-14(19)7-5-13)20-9-8-15-16(20)10-18(2,3)11-17(15)21/h4-9,12H,10-11H2,1-3H3.
What are the key properties of 1-[1-(4-bromophenyl)ethyl]-6,6-dimethyl-5,7-dihydroindol-4-one?
1-[1-(4-bromophenyl)ethyl]-6,6-dimethyl-5,7-dihydroindol-4-one has a molecular weight of 346.27 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)ethyl]-6,6-dimethyl-5,7-dihydroindol-4-one is sourced from PubChem (CID 63465155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).