2-bromo-6-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one

C13H15BrO2 — CID 44726409

IUPAC2-bromo-6-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one
SMILESCOc1ccc2c(c1)C(C)(C)CC(Br)C2=O
InChIInChI=1S/C13H15BrO2/c1-13(2)7-11(14)12(15)9-5-4-8(16-3)6-10(9)13/h4-6,11H,7H2,1-3H3
InChIKeyUZSKIWUZLASLCY-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.32
Rot. Bonds1

About 2-bromo-6-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one

2-bromo-6-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one (PubChem CID 44726409) has the molecular formula C13H15BrO2 and a molecular weight of 283.16 g/mol. Its IUPAC name is 2-bromo-6-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one.

Molecular Properties

Compound Name2-bromo-6-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one
PubChem CID44726409
Molecular FormulaC13H15BrO2
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name2-bromo-6-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one
SMILESCOc1ccc2c(c1)C(C)(C)CC(Br)C2=O
InChIInChI=1S/C13H15BrO2/c1-13(2)7-11(14)12(15)9-5-4-8(16-3)6-10(9)13/h4-6,11H,7H2,1-3H3
InChIKeyUZSKIWUZLASLCY-UHFFFAOYSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.32
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 2-bromo-6-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one?
The IUPAC name of 2-bromo-6-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one (CID 44726409) is 2-bromo-6-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one.
What is the SMILES notation for 2-bromo-6-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one?
The canonical SMILES for 2-bromo-6-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one is COc1ccc2c(c1)C(C)(C)CC(Br)C2=O.
What is the InChIKey of 2-bromo-6-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one?
The InChIKey is UZSKIWUZLASLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO2/c1-13(2)7-11(14)12(15)9-5-4-8(16-3)6-10(9)13/h4-6,11H,7H2,1-3H3.
What are the key properties of 2-bromo-6-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one?
2-bromo-6-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one has a molecular weight of 283.16 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one is sourced from PubChem (CID 44726409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).