4-bromo-6-methoxy-7-methyl-2,3-dihydroinden-1-one

C11H11BrO2 — CID 19042308

IUPAC4-bromo-6-methoxy-7-methyl-2,3-dihydroinden-1-one
SMILESCOc1cc(Br)c2c(c1C)C(=O)CC2
InChIInChI=1S/C11H11BrO2/c1-6-10(14-2)5-8(12)7-3-4-9(13)11(6)7/h5H,3-4H2,1-2H3
InChIKeyYBEYJOIWQWNATN-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.90
Rot. Bonds1

About 4-bromo-6-methoxy-7-methyl-2,3-dihydroinden-1-one

4-bromo-6-methoxy-7-methyl-2,3-dihydroinden-1-one (PubChem CID 19042308) has the molecular formula C11H11BrO2 and a molecular weight of 255.11 g/mol. Its IUPAC name is 4-bromo-6-methoxy-7-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-bromo-6-methoxy-7-methyl-2,3-dihydroinden-1-one
PubChem CID19042308
Molecular FormulaC11H11BrO2
Molecular Weight255.11 g/mol
Exact Mass253.99
IUPAC Name4-bromo-6-methoxy-7-methyl-2,3-dihydroinden-1-one
SMILESCOc1cc(Br)c2c(c1C)C(=O)CC2
InChIInChI=1S/C11H11BrO2/c1-6-10(14-2)5-8(12)7-3-4-9(13)11(6)7/h5H,3-4H2,1-2H3
InChIKeyYBEYJOIWQWNATN-UHFFFAOYSA-N
XLogP2.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-methoxy-7-methyl-2,3-dihydroinden-1-one?
The IUPAC name of 4-bromo-6-methoxy-7-methyl-2,3-dihydroinden-1-one (CID 19042308) is 4-bromo-6-methoxy-7-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-bromo-6-methoxy-7-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for 4-bromo-6-methoxy-7-methyl-2,3-dihydroinden-1-one is COc1cc(Br)c2c(c1C)C(=O)CC2.
What is the InChIKey of 4-bromo-6-methoxy-7-methyl-2,3-dihydroinden-1-one?
The InChIKey is YBEYJOIWQWNATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO2/c1-6-10(14-2)5-8(12)7-3-4-9(13)11(6)7/h5H,3-4H2,1-2H3.
What are the key properties of 4-bromo-6-methoxy-7-methyl-2,3-dihydroinden-1-one?
4-bromo-6-methoxy-7-methyl-2,3-dihydroinden-1-one has a molecular weight of 255.11 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-methoxy-7-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 19042308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).