6-bromo-2-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-5,7-dimethyl-2,3-dihydroinden-1-one

C21H21BrO2 — CID 70233220

IUPAC6-bromo-2-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-5,7-dimethyl-2,3-dihydroinden-1-one
SMILESCOC1Cc2ccccc2C1C1Cc2cc(C)c(Br)c(C)c2C1=O
InChIInChI=1S/C21H21BrO2/c1-11-8-14-9-16(21(23)18(14)12(2)20(11)22)19-15-7-5-4-6-13(15)10-17(19)24-3/h4-8,16-17,19H,9-10H2,1-3H3
InChIKeyQJCCSXOCJABAIM-UHFFFAOYSA-N
MW385.30 g/mol
LogP4.78
Rot. Bonds2

About 6-bromo-2-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-5,7-dimethyl-2,3-dihydroinden-1-one

6-bromo-2-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-5,7-dimethyl-2,3-dihydroinden-1-one (PubChem CID 70233220) has the molecular formula C21H21BrO2 and a molecular weight of 385.30 g/mol. Its IUPAC name is 6-bromo-2-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-5,7-dimethyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-bromo-2-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-5,7-dimethyl-2,3-dihydroinden-1-one
PubChem CID70233220
Molecular FormulaC21H21BrO2
Molecular Weight385.30 g/mol
Exact Mass384.07
IUPAC Name6-bromo-2-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-5,7-dimethyl-2,3-dihydroinden-1-one
SMILESCOC1Cc2ccccc2C1C1Cc2cc(C)c(Br)c(C)c2C1=O
InChIInChI=1S/C21H21BrO2/c1-11-8-14-9-16(21(23)18(14)12(2)20(11)22)19-15-7-5-4-6-13(15)10-17(19)24-3/h4-8,16-17,19H,9-10H2,1-3H3
InChIKeyQJCCSXOCJABAIM-UHFFFAOYSA-N
XLogP4.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.30
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-5,7-dimethyl-2,3-dihydroinden-1-one?
The IUPAC name of 6-bromo-2-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-5,7-dimethyl-2,3-dihydroinden-1-one (CID 70233220) is 6-bromo-2-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-5,7-dimethyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-bromo-2-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-5,7-dimethyl-2,3-dihydroinden-1-one?
The canonical SMILES for 6-bromo-2-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-5,7-dimethyl-2,3-dihydroinden-1-one is COC1Cc2ccccc2C1C1Cc2cc(C)c(Br)c(C)c2C1=O.
What is the InChIKey of 6-bromo-2-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-5,7-dimethyl-2,3-dihydroinden-1-one?
The InChIKey is QJCCSXOCJABAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrO2/c1-11-8-14-9-16(21(23)18(14)12(2)20(11)22)19-15-7-5-4-6-13(15)10-17(19)24-3/h4-8,16-17,19H,9-10H2,1-3H3.
What are the key properties of 6-bromo-2-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-5,7-dimethyl-2,3-dihydroinden-1-one?
6-bromo-2-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-5,7-dimethyl-2,3-dihydroinden-1-one has a molecular weight of 385.30 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-5,7-dimethyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 70233220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).