1,5-dibromo-2,6-dimethoxynaphthalene

C12H10Br2O2 — CID 631444

IUPAC1,5-dibromo-2,6-dimethoxynaphthalene
SMILESCOc1ccc2c(Br)c(OC)ccc2c1Br
InChIInChI=1S/C12H10Br2O2/c1-15-9-5-3-8-7(11(9)13)4-6-10(16-2)12(8)14/h3-6H,1-2H3
InChIKeyISDSFEXTWVVJKX-UHFFFAOYSA-N
MW346.02 g/mol
LogP4.38
Rot. Bonds2

About 1,5-dibromo-2,6-dimethoxynaphthalene

1,5-dibromo-2,6-dimethoxynaphthalene (PubChem CID 631444) has the molecular formula C12H10Br2O2 and a molecular weight of 346.02 g/mol. Its IUPAC name is 1,5-dibromo-2,6-dimethoxynaphthalene.

Molecular Properties

Compound Name1,5-dibromo-2,6-dimethoxynaphthalene
PubChem CID631444
Molecular FormulaC12H10Br2O2
Molecular Weight346.02 g/mol
Exact Mass343.90
IUPAC Name1,5-dibromo-2,6-dimethoxynaphthalene
SMILESCOc1ccc2c(Br)c(OC)ccc2c1Br
InChIInChI=1S/C12H10Br2O2/c1-15-9-5-3-8-7(11(9)13)4-6-10(16-2)12(8)14/h3-6H,1-2H3
InChIKeyISDSFEXTWVVJKX-UHFFFAOYSA-N
XLogP4.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.02
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Bromo-6-methoxynaphthalene
CID 78786
1-Bromo-2-methoxynaphthalene
CID 72860
1-Bromo-4-methoxynaphthalene
CID 138521
3-Bromo-4-methoxybiphenyl
CID 262267
(S)-3,3'-Dibromo-2,2'-dimethoxy-1,1'-binaphthyl
CID 394170
1,6-Dibromo-2-methoxy-naphthalene
CID 3503057
2-Bromo-3-methoxynaphthalene
CID 13351910
1-bromonaphthalen-2-yl N,N-dimethylcarbamate
CID 735654
2,6-Dimethoxynaphthalene
CID 79627
4-Bromo-2,3-dimethylanisole
CID 2752599
3-Bromo-4'-methoxybiphenyl
CID 2757035
2,4-Dibromo-1-methoxynaphthalene
CID 3572059

Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-2,6-dimethoxynaphthalene?
The IUPAC name of 1,5-dibromo-2,6-dimethoxynaphthalene (CID 631444) is 1,5-dibromo-2,6-dimethoxynaphthalene.
What is the SMILES notation for 1,5-dibromo-2,6-dimethoxynaphthalene?
The canonical SMILES for 1,5-dibromo-2,6-dimethoxynaphthalene is COc1ccc2c(Br)c(OC)ccc2c1Br.
What is the InChIKey of 1,5-dibromo-2,6-dimethoxynaphthalene?
The InChIKey is ISDSFEXTWVVJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2O2/c1-15-9-5-3-8-7(11(9)13)4-6-10(16-2)12(8)14/h3-6H,1-2H3.
What are the key properties of 1,5-dibromo-2,6-dimethoxynaphthalene?
1,5-dibromo-2,6-dimethoxynaphthalene has a molecular weight of 346.02 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-2,6-dimethoxynaphthalene is sourced from PubChem (CID 631444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).