1-bromo-8-methylnaphthalene

C11H9Br — CID 4250949

IUPAC1-bromo-8-methylnaphthalene
SMILESCc1cccc2cccc(Br)c12
InChIInChI=1S/C11H9Br/c1-8-4-2-5-9-6-3-7-10(12)11(8)9/h2-7H,1H3
InChIKeyQTWVRVGVJURUFK-UHFFFAOYSA-N
MW221.10 g/mol
LogP3.91
Rot. Bonds

About 1-bromo-8-methylnaphthalene

1-bromo-8-methylnaphthalene (PubChem CID 4250949) has the molecular formula C11H9Br and a molecular weight of 221.10 g/mol. Its IUPAC name is 1-bromo-8-methylnaphthalene.

Molecular Properties

Compound Name1-bromo-8-methylnaphthalene
PubChem CID4250949
Molecular FormulaC11H9Br
Molecular Weight221.10 g/mol
Exact Mass219.99
IUPAC Name1-bromo-8-methylnaphthalene
SMILESCc1cccc2cccc(Br)c12
InChIInChI=1S/C11H9Br/c1-8-4-2-5-9-6-3-7-10(12)11(8)9/h2-7H,1H3
InChIKeyQTWVRVGVJURUFK-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.10
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,8-dibromo-2-methylnaphthalene
CID 54423684
1,8-dimethylnaphthalene;ethane
CID 91447117
4,21-dimethylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 177492723
4,5-dimethylphenanthrene;ethane
CID 143983787
5-bromo-4-methylnaphthalen-2-amine
CID 170624217
1-bromo-2-(2-bromo-6-methylphenyl)-3-methylbenzene
CID 14113190
1-bromo-2,3,4-trifluorobenzene;1,2-difluoro-8-methylnaphthalene
CID 158000312
1,8-dimethylnaphthalene;bis(1,3,6,8-tetramethylnaphthalene)
CID 159825938
2-(5-bromo-4-methylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 169132131
sodium 8-methylnaphthalene-1-sulfonate
CID 101315117
9-bromo-1-methylpyrene
CID 144757480
1,2-difluoro-8-methylnaphthalene
CID 138605111

Frequently Asked Questions

What is the IUPAC name of 1-bromo-8-methylnaphthalene?
The IUPAC name of 1-bromo-8-methylnaphthalene (CID 4250949) is 1-bromo-8-methylnaphthalene.
What is the SMILES notation for 1-bromo-8-methylnaphthalene?
The canonical SMILES for 1-bromo-8-methylnaphthalene is Cc1cccc2cccc(Br)c12.
What is the InChIKey of 1-bromo-8-methylnaphthalene?
The InChIKey is QTWVRVGVJURUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br/c1-8-4-2-5-9-6-3-7-10(12)11(8)9/h2-7H,1H3.
What are the key properties of 1-bromo-8-methylnaphthalene?
1-bromo-8-methylnaphthalene has a molecular weight of 221.10 g/mol, XLogP of 3.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-8-methylnaphthalene is sourced from PubChem (CID 4250949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).