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

C13H15BrO2 — CID 124560116

IUPAC(2R)-2-bromo-6-methoxy-3,3-dimethyl-2,4-dihydronaphthalen-1-one
SMILESCOc1ccc2c(c1)CC(C)(C)[C@@H](Br)C2=O
InChIInChI=1S/C13H15BrO2/c1-13(2)7-8-6-9(16-3)4-5-10(8)11(15)12(13)14/h4-6,12H,7H2,1-3H3/t12-/m0/s1
InChIKeyLFRHGUOZMCWPDQ-LBPRGKRZSA-N
MW283.16 g/mol
LogP3.22
Rot. Bonds1

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

(2R)-2-bromo-6-methoxy-3,3-dimethyl-2,4-dihydronaphthalen-1-one (PubChem CID 124560116) has the molecular formula C13H15BrO2 and a molecular weight of 283.16 g/mol. Its IUPAC name is (2R)-2-bromo-6-methoxy-3,3-dimethyl-2,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2R)-2-bromo-6-methoxy-3,3-dimethyl-2,4-dihydronaphthalen-1-one
PubChem CID124560116
Molecular FormulaC13H15BrO2
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name(2R)-2-bromo-6-methoxy-3,3-dimethyl-2,4-dihydronaphthalen-1-one
SMILESCOc1ccc2c(c1)CC(C)(C)[C@@H](Br)C2=O
InChIInChI=1S/C13H15BrO2/c1-13(2)7-8-6-9(16-3)4-5-10(8)11(15)12(13)14/h4-6,12H,7H2,1-3H3/t12-/m0/s1
InChIKeyLFRHGUOZMCWPDQ-LBPRGKRZSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2,2-dimethyl-3H-inden-1-one
CID 10330158
7-methoxy-3-methyl-2,3-dihydro-1H-isoquinolin-4-one
CID 134913718
2-fluoro-5-methoxy-2,3-dihydroinden-1-one
CID 45120123
2-bromo-6-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one
CID 44726409
(2R)-6-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde
CID 98053581
3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
1,5-dimethoxy-2,2-dimethyl-1,3-dihydroindene
CID 10398076
2-acetyl-5-methoxy-2,3-dihydroinden-1-one
CID 121012834
6-methoxy-2-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one
CID 12067529
3-[(2S)-6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]propanoic acid
CID 129394210
(2S)-2-[(dimethylamino)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 70254705
ethene;5-methoxyspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione
CID 161055612

Frequently Asked Questions

What is the IUPAC name of (2R)-2-bromo-6-methoxy-3,3-dimethyl-2,4-dihydronaphthalen-1-one?
The IUPAC name of (2R)-2-bromo-6-methoxy-3,3-dimethyl-2,4-dihydronaphthalen-1-one (CID 124560116) is (2R)-2-bromo-6-methoxy-3,3-dimethyl-2,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2R)-2-bromo-6-methoxy-3,3-dimethyl-2,4-dihydronaphthalen-1-one?
The canonical SMILES for (2R)-2-bromo-6-methoxy-3,3-dimethyl-2,4-dihydronaphthalen-1-one is COc1ccc2c(c1)CC(C)(C)[C@@H](Br)C2=O.
What is the InChIKey of (2R)-2-bromo-6-methoxy-3,3-dimethyl-2,4-dihydronaphthalen-1-one?
The InChIKey is LFRHGUOZMCWPDQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H15BrO2/c1-13(2)7-8-6-9(16-3)4-5-10(8)11(15)12(13)14/h4-6,12H,7H2,1-3H3/t12-/m0/s1.
What are the key properties of (2R)-2-bromo-6-methoxy-3,3-dimethyl-2,4-dihydronaphthalen-1-one?
(2R)-2-bromo-6-methoxy-3,3-dimethyl-2,4-dihydronaphthalen-1-one has a molecular weight of 283.16 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-bromo-6-methoxy-3,3-dimethyl-2,4-dihydronaphthalen-1-one is sourced from PubChem (CID 124560116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).