6-bromo-5,7-dimethyl-2,3-dihydroinden-1-one

C11H11BrO — CID 14682896

IUPAC6-bromo-5,7-dimethyl-2,3-dihydroinden-1-one
SMILESCc1cc2c(c(C)c1Br)C(=O)CC2
InChIInChI=1S/C11H11BrO/c1-6-5-8-3-4-9(13)10(8)7(2)11(6)12/h5H,3-4H2,1-2H3
InChIKeyWQHGVZCBXKEVIU-UHFFFAOYSA-N
MW239.11 g/mol
LogP3.19
Rot. Bonds

About 6-bromo-5,7-dimethyl-2,3-dihydroinden-1-one

6-bromo-5,7-dimethyl-2,3-dihydroinden-1-one (PubChem CID 14682896) has the molecular formula C11H11BrO and a molecular weight of 239.11 g/mol. Its IUPAC name is 6-bromo-5,7-dimethyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-bromo-5,7-dimethyl-2,3-dihydroinden-1-one
PubChem CID14682896
Molecular FormulaC11H11BrO
Molecular Weight239.11 g/mol
Exact Mass238.00
IUPAC Name6-bromo-5,7-dimethyl-2,3-dihydroinden-1-one
SMILESCc1cc2c(c(C)c1Br)C(=O)CC2
InChIInChI=1S/C11H11BrO/c1-6-5-8-3-4-9(13)10(8)7(2)11(6)12/h5H,3-4H2,1-2H3
InChIKeyWQHGVZCBXKEVIU-UHFFFAOYSA-N
XLogP3.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.11
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5,7-dimethyl-2,3-dihydroinden-1-one?
The IUPAC name of 6-bromo-5,7-dimethyl-2,3-dihydroinden-1-one (CID 14682896) is 6-bromo-5,7-dimethyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-bromo-5,7-dimethyl-2,3-dihydroinden-1-one?
The canonical SMILES for 6-bromo-5,7-dimethyl-2,3-dihydroinden-1-one is Cc1cc2c(c(C)c1Br)C(=O)CC2.
What is the InChIKey of 6-bromo-5,7-dimethyl-2,3-dihydroinden-1-one?
The InChIKey is WQHGVZCBXKEVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO/c1-6-5-8-3-4-9(13)10(8)7(2)11(6)12/h5H,3-4H2,1-2H3.
What are the key properties of 6-bromo-5,7-dimethyl-2,3-dihydroinden-1-one?
6-bromo-5,7-dimethyl-2,3-dihydroinden-1-one has a molecular weight of 239.11 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5,7-dimethyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 14682896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).