3-bromo-1-methylnaphthalene

C11H9Br — CID 18673607

IUPAC3-bromo-1-methylnaphthalene
SMILESCc1cc(Br)cc2ccccc12
InChIInChI=1S/C11H9Br/c1-8-6-10(12)7-9-4-2-3-5-11(8)9/h2-7H,1H3
InChIKeyUTXLKIYFDKKKEC-UHFFFAOYSA-N
MW221.10 g/mol
LogP3.91
Rot. Bonds

About 3-bromo-1-methylnaphthalene

3-bromo-1-methylnaphthalene (PubChem CID 18673607) has the molecular formula C11H9Br and a molecular weight of 221.10 g/mol. Its IUPAC name is 3-bromo-1-methylnaphthalene.

Molecular Properties

Compound Name3-bromo-1-methylnaphthalene
PubChem CID18673607
Molecular FormulaC11H9Br
Molecular Weight221.10 g/mol
Exact Mass219.99
IUPAC Name3-bromo-1-methylnaphthalene
SMILESCc1cc(Br)cc2ccccc12
InChIInChI=1S/C11H9Br/c1-8-6-10(12)7-9-4-2-3-5-11(8)9/h2-7H,1H3
InChIKeyUTXLKIYFDKKKEC-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-methyl-3-(4-methylnaphthalen-2-yl)naphthalene
CID 58049667
1,3-dimethylnaphthalene;ethane
CID 145447624
3-iodo-1-methylnaphthalene
CID 11715949
1-methyl-3-[(4-methylnaphthalen-2-yl)methyl]naphthalene
CID 54470765
ethane;4-methylnaphthalen-2-amine
CID 144829259
1-bromo-2-methoxy-3-methylnaphthalene
CID 23018719
ethane;methane;9-methylphenanthrene
CID 169171289
ethane;methane;9-methylphenanthrene
CID 144916914
3-(difluoromethyl)-1-methylnaphthalene
CID 118018854
9-bromo-2,3-dimethylanthracene
CID 77134418
3-bromo-1-ethenylnaphthalene
CID 59266401
1-methyl-3-[(2-methylpropan-2-yl)oxy]naphthalene
CID 90312399

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methylnaphthalene?
The IUPAC name of 3-bromo-1-methylnaphthalene (CID 18673607) is 3-bromo-1-methylnaphthalene.
What is the SMILES notation for 3-bromo-1-methylnaphthalene?
The canonical SMILES for 3-bromo-1-methylnaphthalene is Cc1cc(Br)cc2ccccc12.
What is the InChIKey of 3-bromo-1-methylnaphthalene?
The InChIKey is UTXLKIYFDKKKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br/c1-8-6-10(12)7-9-4-2-3-5-11(8)9/h2-7H,1H3.
What are the key properties of 3-bromo-1-methylnaphthalene?
3-bromo-1-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 3-bromo-1-methylnaphthalene is sourced from PubChem (CID 18673607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).