1-bromo-5,6-dimethoxy-3-methyl-2,3-dihydro-1H-indene

C12H15BrO2 — CID 63821934

IUPAC1-bromo-5,6-dimethoxy-3-methyl-2,3-dihydro-1H-indene
SMILESCOc1cc2c(cc1OC)C(Br)CC2C
InChIInChI=1S/C12H15BrO2/c1-7-4-10(13)9-6-12(15-3)11(14-2)5-8(7)9/h5-7,10H,4H2,1-3H3
InChIKeyIDWCAYIUWGUKGJ-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.65
Rot. Bonds2

About 1-bromo-5,6-dimethoxy-3-methyl-2,3-dihydro-1H-indene

1-bromo-5,6-dimethoxy-3-methyl-2,3-dihydro-1H-indene (PubChem CID 63821934) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is 1-bromo-5,6-dimethoxy-3-methyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name1-bromo-5,6-dimethoxy-3-methyl-2,3-dihydro-1H-indene
PubChem CID63821934
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name1-bromo-5,6-dimethoxy-3-methyl-2,3-dihydro-1H-indene
SMILESCOc1cc2c(cc1OC)C(Br)CC2C
InChIInChI=1S/C12H15BrO2/c1-7-4-10(13)9-6-12(15-3)11(14-2)5-8(7)9/h5-7,10H,4H2,1-3H3
InChIKeyIDWCAYIUWGUKGJ-UHFFFAOYSA-N
XLogP3.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-5,6-dimethoxy-3-methyl-2,3-dihydro-1H-indene?
The IUPAC name of 1-bromo-5,6-dimethoxy-3-methyl-2,3-dihydro-1H-indene (CID 63821934) is 1-bromo-5,6-dimethoxy-3-methyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 1-bromo-5,6-dimethoxy-3-methyl-2,3-dihydro-1H-indene?
The canonical SMILES for 1-bromo-5,6-dimethoxy-3-methyl-2,3-dihydro-1H-indene is COc1cc2c(cc1OC)C(Br)CC2C.
What is the InChIKey of 1-bromo-5,6-dimethoxy-3-methyl-2,3-dihydro-1H-indene?
The InChIKey is IDWCAYIUWGUKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c1-7-4-10(13)9-6-12(15-3)11(14-2)5-8(7)9/h5-7,10H,4H2,1-3H3.
What are the key properties of 1-bromo-5,6-dimethoxy-3-methyl-2,3-dihydro-1H-indene?
1-bromo-5,6-dimethoxy-3-methyl-2,3-dihydro-1H-indene has a molecular weight of 271.15 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5,6-dimethoxy-3-methyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 63821934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).