1,2-dimethylnaphthalene;hydrobromide

C12H13Br — CID 174429192

IUPAC1,2-dimethylnaphthalene;hydrobromide
SMILESBr.Cc1ccc2ccccc2c1C
InChIInChI=1S/C12H12.BrH/c1-9-7-8-11-5-3-4-6-12(11)10(9)2;/h3-8H,1-2H3;1H
InChIKeyVIBIPYWHMGLVPR-UHFFFAOYSA-N
MW237.14 g/mol
LogP4.03
Rot. Bonds

About 1,2-dimethylnaphthalene;hydrobromide

1,2-dimethylnaphthalene;hydrobromide (PubChem CID 174429192) has the molecular formula C12H13Br and a molecular weight of 237.14 g/mol. Its IUPAC name is 1,2-dimethylnaphthalene;hydrobromide.

Molecular Properties

Compound Name1,2-dimethylnaphthalene;hydrobromide
PubChem CID174429192
Molecular FormulaC12H13Br
Molecular Weight237.14 g/mol
Exact Mass236.02
IUPAC Name1,2-dimethylnaphthalene;hydrobromide
SMILESBr.Cc1ccc2ccccc2c1C
InChIInChI=1S/C12H12.BrH/c1-9-7-8-11-5-3-4-6-12(11)10(9)2;/h3-8H,1-2H3;1H
InChIKeyVIBIPYWHMGLVPR-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.14
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dimethylnaphthalene;ethane
CID 90922397
1,2-dimethylnaphthalene;ethane;propane
CID 90958253
CID 174952832
CID 174952832
1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;ethane;1,2-xylene
CID 161084125
1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;ethane;methane;1,2-xylene
CID 158113046
1,2-dimethylnaphthalene;1-ethylnaphthalene
CID 158986916
2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678
1,2-dimethylnaphthalene;1,2,3,4-tetrahydrochrysene
CID 175241549
3,4-dimethylbenzo[a]anthracene
CID 154377924
(1-methylnaphthalen-2-yl)methanol
CID 15054223
2-methyl-1-[2-(2-methylnaphthalen-1-yl)ethynyl]naphthalene
CID 15355669
1-(2,3-dimethylphenyl)phenanthrene
CID 175838627

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylnaphthalene;hydrobromide?
The IUPAC name of 1,2-dimethylnaphthalene;hydrobromide (CID 174429192) is 1,2-dimethylnaphthalene;hydrobromide.
What is the SMILES notation for 1,2-dimethylnaphthalene;hydrobromide?
The canonical SMILES for 1,2-dimethylnaphthalene;hydrobromide is Br.Cc1ccc2ccccc2c1C.
What is the InChIKey of 1,2-dimethylnaphthalene;hydrobromide?
The InChIKey is VIBIPYWHMGLVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12.BrH/c1-9-7-8-11-5-3-4-6-12(11)10(9)2;/h3-8H,1-2H3;1H.
What are the key properties of 1,2-dimethylnaphthalene;hydrobromide?
1,2-dimethylnaphthalene;hydrobromide has a molecular weight of 237.14 g/mol, XLogP of 4.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylnaphthalene;hydrobromide is sourced from PubChem (CID 174429192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).