5-bromo-8-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one

C12H13BrO2 — CID 121010058

IUPAC5-bromo-8-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one
SMILESCOc1ccc(Br)c2c1C(C)C(=O)CC2
InChIInChI=1S/C12H13BrO2/c1-7-10(14)5-3-8-9(13)4-6-11(15-2)12(7)8/h4,6-7H,3,5H2,1-2H3
InChIKeyRYNIFKBSJIDSNL-UHFFFAOYSA-N
MW269.14 g/mol
LogP3.08
Rot. Bonds1

About 5-bromo-8-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one

5-bromo-8-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 121010058) has the molecular formula C12H13BrO2 and a molecular weight of 269.14 g/mol. Its IUPAC name is 5-bromo-8-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name5-bromo-8-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one
PubChem CID121010058
Molecular FormulaC12H13BrO2
Molecular Weight269.14 g/mol
Exact Mass268.01
IUPAC Name5-bromo-8-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one
SMILESCOc1ccc(Br)c2c1C(C)C(=O)CC2
InChIInChI=1S/C12H13BrO2/c1-7-10(14)5-3-8-9(13)4-6-11(15-2)12(7)8/h4,6-7H,3,5H2,1-2H3
InChIKeyRYNIFKBSJIDSNL-UHFFFAOYSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Bromo-4-methoxynaphthalene
CID 138521
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CID 223379
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CID 260391
4-Bromo-2,3-dimethylanisole
CID 2752599
8-Bromo-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-one
CID 13777917
2-(5-Bromo-2-methoxybenzylidene)-1-tetralone
CID 6307541
6-Bromo-3-methoxy-2-methylbenzoic acid
CID 20317559
1-(5-Bromo-2-methoxyphenyl)propan-2-one
CID 22388465
Methyl 6-bromo-3-methoxy-2-methylbenzoate
CID 54335079
5-Bromo-8-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 372187
(E)-3-(5-bromo-2-methoxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 18291902
4-Bromo-1,5-dimethoxynaphthalene
CID 247559

Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 5-bromo-8-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one (CID 121010058) is 5-bromo-8-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 5-bromo-8-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 5-bromo-8-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one is COc1ccc(Br)c2c1C(C)C(=O)CC2.
What is the InChIKey of 5-bromo-8-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is RYNIFKBSJIDSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO2/c1-7-10(14)5-3-8-9(13)4-6-11(15-2)12(7)8/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 5-bromo-8-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one?
5-bromo-8-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 269.14 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 121010058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).