1-(bromomethyl)-5-methylnaphthalene

C12H11Br — CID 15657418

IUPAC1-(bromomethyl)-5-methylnaphthalene
SMILESCc1cccc2c(CBr)cccc12
InChIInChI=1S/C12H11Br/c1-9-4-2-7-12-10(8-13)5-3-6-11(9)12/h2-7H,8H2,1H3
InChIKeyYECMILBJHVNYLO-UHFFFAOYSA-N
MW235.12 g/mol
LogP4.04
Rot. Bonds1

About 1-(bromomethyl)-5-methylnaphthalene

1-(bromomethyl)-5-methylnaphthalene (PubChem CID 15657418) has the molecular formula C12H11Br and a molecular weight of 235.12 g/mol. Its IUPAC name is 1-(bromomethyl)-5-methylnaphthalene.

Molecular Properties

Compound Name1-(bromomethyl)-5-methylnaphthalene
PubChem CID15657418
Molecular FormulaC12H11Br
Molecular Weight235.12 g/mol
Exact Mass234.00
IUPAC Name1-(bromomethyl)-5-methylnaphthalene
SMILESCc1cccc2c(CBr)cccc12
InChIInChI=1S/C12H11Br/c1-9-4-2-7-12-10(8-13)5-3-6-11(9)12/h2-7H,8H2,1H3
InChIKeyYECMILBJHVNYLO-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.12
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-(bromomethyl)-5-methylnaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,5-dimethylnaphthalene
CID 162159355
1-(bromomethyl)-2-hexoxy-3-methylbenzene
CID 112614137
1-(bromomethyl)-3-methyl-2-octoxybenzene
CID 112614072
1-(5-methylnaphthalen-1-yl)propan-2-one
CID 59096635
1-methyl-5-[(4-methylphenyl)methyl]naphthalene
CID 18684384
1-(bromomethyl)-3-methyl-2-(4,4,4-trifluorobutoxy)benzene
CID 112614188
1-(bromomethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene
CID 112614167
4-[[2-(bromomethyl)-6-methylphenoxy]methyl]phenol
CID 112614206
1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methylbenzene
CID 112614225
1,5,9-tris(bromomethyl)triphenylene
CID 11071234
7-(bromomethyl)-3-methyl-1-benzothiophene
CID 14780499
1-(bromomethyl)-3-methyl-2-(2-methylphenyl)benzene
CID 152616101

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-5-methylnaphthalene?
The IUPAC name of 1-(bromomethyl)-5-methylnaphthalene (CID 15657418) is 1-(bromomethyl)-5-methylnaphthalene.
What is the SMILES notation for 1-(bromomethyl)-5-methylnaphthalene?
The canonical SMILES for 1-(bromomethyl)-5-methylnaphthalene is Cc1cccc2c(CBr)cccc12.
What is the InChIKey of 1-(bromomethyl)-5-methylnaphthalene?
The InChIKey is YECMILBJHVNYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br/c1-9-4-2-7-12-10(8-13)5-3-6-11(9)12/h2-7H,8H2,1H3.
What are the key properties of 1-(bromomethyl)-5-methylnaphthalene?
1-(bromomethyl)-5-methylnaphthalene has a molecular weight of 235.12 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-5-methylnaphthalene is sourced from PubChem (CID 15657418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).