6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalene

C12H15BrO2 — CID 15354623

IUPAC6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalene
SMILESCOc1cc(Br)c(OC)c2c1CCCC2
InChIInChI=1S/C12H15BrO2/c1-14-11-7-10(13)12(15-2)9-6-4-3-5-8(9)11/h7H,3-6H2,1-2H3
InChIKeyWNLUFKIRXBJTPT-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.35
Rot. Bonds2

About 6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalene

6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalene (PubChem CID 15354623) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is 6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalene
PubChem CID15354623
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalene
SMILESCOc1cc(Br)c(OC)c2c1CCCC2
InChIInChI=1S/C12H15BrO2/c1-14-11-7-10(13)12(15-2)9-6-4-3-5-8(9)11/h7H,3-6H2,1-2H3
InChIKeyWNLUFKIRXBJTPT-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydroquinoline
CID 119053876
7-bromo-1-chloro-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalene
CID 105057519
(1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 105057486
(1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 105057504
6-bromo-5,8-dimethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 18976424
2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol
CID 117379543
(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)methanol
CID 84676076
3-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanal
CID 117374005
2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 117415319
methyl 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate
CID 117449915
1-(3-bromo-2,5,6-trimethoxyphenyl)cyclopropan-1-amine
CID 117486233
1-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanol
CID 117417580

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalene (CID 15354623) is 6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalene is COc1cc(Br)c(OC)c2c1CCCC2.
What is the InChIKey of 6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalene?
The InChIKey is WNLUFKIRXBJTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c1-14-11-7-10(13)12(15-2)9-6-4-3-5-8(9)11/h7H,3-6H2,1-2H3.
What are the key properties of 6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalene?
6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalene has a molecular weight of 271.15 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 15354623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).