3-bromo-6-chloro-2-methoxynaphthalene

C11H8BrClO — CID 84713048

IUPAC3-bromo-6-chloro-2-methoxynaphthalene
SMILESCOc1cc2ccc(Cl)cc2cc1Br
InChIInChI=1S/C11H8BrClO/c1-14-11-6-7-2-3-9(13)4-8(7)5-10(11)12/h2-6H,1H3
InChIKeyGUXQWQNMEMQAQZ-UHFFFAOYSA-N
MW271.54 g/mol
LogP4.26
Rot. Bonds1

About 3-bromo-6-chloro-2-methoxynaphthalene

3-bromo-6-chloro-2-methoxynaphthalene (PubChem CID 84713048) has the molecular formula C11H8BrClO and a molecular weight of 271.54 g/mol. Its IUPAC name is 3-bromo-6-chloro-2-methoxynaphthalene.

Molecular Properties

Compound Name3-bromo-6-chloro-2-methoxynaphthalene
PubChem CID84713048
Molecular FormulaC11H8BrClO
Molecular Weight271.54 g/mol
Exact Mass269.94
IUPAC Name3-bromo-6-chloro-2-methoxynaphthalene
SMILESCOc1cc2ccc(Cl)cc2cc1Br
InChIInChI=1S/C11H8BrClO/c1-14-11-6-7-2-3-9(13)4-8(7)5-10(11)12/h2-6H,1H3
InChIKeyGUXQWQNMEMQAQZ-UHFFFAOYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.54
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(7-chloro-3-methoxynaphthalen-2-yl)cyclopropane-1-carboxylic acid
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1-bromo-4-[bromo-(5-chloro-2-fluorophenyl)methyl]-2,5-dimethoxybenzene
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-chloro-2-methoxynaphthalene?
The IUPAC name of 3-bromo-6-chloro-2-methoxynaphthalene (CID 84713048) is 3-bromo-6-chloro-2-methoxynaphthalene.
What is the SMILES notation for 3-bromo-6-chloro-2-methoxynaphthalene?
The canonical SMILES for 3-bromo-6-chloro-2-methoxynaphthalene is COc1cc2ccc(Cl)cc2cc1Br.
What is the InChIKey of 3-bromo-6-chloro-2-methoxynaphthalene?
The InChIKey is GUXQWQNMEMQAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClO/c1-14-11-6-7-2-3-9(13)4-8(7)5-10(11)12/h2-6H,1H3.
What are the key properties of 3-bromo-6-chloro-2-methoxynaphthalene?
3-bromo-6-chloro-2-methoxynaphthalene has a molecular weight of 271.54 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-chloro-2-methoxynaphthalene is sourced from PubChem (CID 84713048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).