4-bromo-2-methyl-2,3-dihydroinden-1-one;ethane

C12H15BrO — CID 143769124

IUPAC4-bromo-2-methyl-2,3-dihydroinden-1-one;ethane
SMILESCC.CC1Cc2c(Br)cccc2C1=O
InChIInChI=1S/C10H9BrO.C2H6/c1-6-5-8-7(10(6)12)3-2-4-9(8)11;1-2/h2-4,6H,5H2,1H3;1-2H3
InChIKeyKYEBCBAZMMPVBP-UHFFFAOYSA-N
MW255.15 g/mol
LogP3.85
Rot. Bonds

About 4-bromo-2-methyl-2,3-dihydroinden-1-one;ethane

4-bromo-2-methyl-2,3-dihydroinden-1-one;ethane (PubChem CID 143769124) has the molecular formula C12H15BrO and a molecular weight of 255.15 g/mol. Its IUPAC name is 4-bromo-2-methyl-2,3-dihydroinden-1-one;ethane.

Molecular Properties

Compound Name4-bromo-2-methyl-2,3-dihydroinden-1-one;ethane
PubChem CID143769124
Molecular FormulaC12H15BrO
Molecular Weight255.15 g/mol
Exact Mass254.03
IUPAC Name4-bromo-2-methyl-2,3-dihydroinden-1-one;ethane
SMILESCC.CC1Cc2c(Br)cccc2C1=O
InChIInChI=1S/C10H9BrO.C2H6/c1-6-5-8-7(10(6)12)3-2-4-9(8)11;1-2/h2-4,6H,5H2,1H3;1-2H3
InChIKeyKYEBCBAZMMPVBP-UHFFFAOYSA-N
XLogP3.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-oxo-2,3-dihydroindene-4-carbonitrile
CID 19042305
8-bromo-3-methyl-1H-isothiochromen-4-one
CID 82886760
(NZ)-N-(4-bromo-2-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine
CID 165411731
4-(4-chlorophenyl)-2-methyl-2,3-dihydroinden-1-one
CID 22172950
4-(3,5-dimethylphenyl)-2-methyl-2,3-dihydroinden-1-one
CID 22173236
2-methyl-4-thiophen-2-yl-2,3-dihydroinden-1-one
CID 22173067
(2-methyl-1-oxo-2,3-dihydroinden-4-yl) acetate
CID 22173228
4-bromo-2-methyl-2,3-dihydroinden-1-one;4-chloro-2-methyl-2,3-dihydroinden-1-one;4-iodo-2-methyl-2,3-dihydroinden-1-one;(2-methyl-1-oxo-2,3-dihydroinden-4-yl) 2,2,2-trifluoroacetate
CID 158308969
4-diphenylphosphanyl-2-methyl-2,3-dihydroinden-1-one
CID 54062928
2-methyl-4-pyridin-3-yl-2,3-dihydroinden-1-one
CID 22173484
4-bromo-7-hydroxy-2-methyl-2,3-dihydroinden-1-one
CID 71082807
(2S)-2-methyl-2,3-dihydroinden-1-one
CID 6994407

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-2,3-dihydroinden-1-one;ethane?
The IUPAC name of 4-bromo-2-methyl-2,3-dihydroinden-1-one;ethane (CID 143769124) is 4-bromo-2-methyl-2,3-dihydroinden-1-one;ethane.
What is the SMILES notation for 4-bromo-2-methyl-2,3-dihydroinden-1-one;ethane?
The canonical SMILES for 4-bromo-2-methyl-2,3-dihydroinden-1-one;ethane is CC.CC1Cc2c(Br)cccc2C1=O.
What is the InChIKey of 4-bromo-2-methyl-2,3-dihydroinden-1-one;ethane?
The InChIKey is KYEBCBAZMMPVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO.C2H6/c1-6-5-8-7(10(6)12)3-2-4-9(8)11;1-2/h2-4,6H,5H2,1H3;1-2H3.
What are the key properties of 4-bromo-2-methyl-2,3-dihydroinden-1-one;ethane?
4-bromo-2-methyl-2,3-dihydroinden-1-one;ethane has a molecular weight of 255.15 g/mol, XLogP of 3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-2,3-dihydroinden-1-one;ethane is sourced from PubChem (CID 143769124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).