2-bromo-1,5,8-trimethoxy-3-methylnaphthalene

C14H15BrO3 — CID 15362269

IUPAC2-bromo-1,5,8-trimethoxy-3-methylnaphthalene
SMILESCOc1ccc(OC)c2c(OC)c(Br)c(C)cc12
InChIInChI=1S/C14H15BrO3/c1-8-7-9-10(16-2)5-6-11(17-3)12(9)14(18-4)13(8)15/h5-7H,1-4H3
InChIKeyKOBSPYIURVJVIJ-UHFFFAOYSA-N
MW311.18 g/mol
LogP3.94
Rot. Bonds3

About 2-bromo-1,5,8-trimethoxy-3-methylnaphthalene

2-bromo-1,5,8-trimethoxy-3-methylnaphthalene (PubChem CID 15362269) has the molecular formula C14H15BrO3 and a molecular weight of 311.18 g/mol. Its IUPAC name is 2-bromo-1,5,8-trimethoxy-3-methylnaphthalene.

Molecular Properties

Compound Name2-bromo-1,5,8-trimethoxy-3-methylnaphthalene
PubChem CID15362269
Molecular FormulaC14H15BrO3
Molecular Weight311.18 g/mol
Exact Mass310.02
IUPAC Name2-bromo-1,5,8-trimethoxy-3-methylnaphthalene
SMILESCOc1ccc(OC)c2c(OC)c(Br)c(C)cc12
InChIInChI=1S/C14H15BrO3/c1-8-7-9-10(16-2)5-6-11(17-3)12(9)14(18-4)13(8)15/h5-7H,1-4H3
InChIKeyKOBSPYIURVJVIJ-UHFFFAOYSA-N
XLogP3.94
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-bromo-1,5,8-trimethoxy-3-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

2-bromo-1,4,5,8-tetramethoxy-3-methylnaphthalene
CID 15362253
4-bromo-1-chloro-2,3-dimethoxy-5-methylbenzene
CID 84711447
methyl 3-bromo-2,6-dimethoxy-4-methylbenzoate
CID 121224482
5,8-dimethoxy-2,3-dimethyl-1-methylsulfanylnaphthalene
CID 15365946
2-bromo-5,6-dimethoxy-3-methylphenol
CID 84705992
ethane;1,2,3-trimethoxy-4-methylbenzene
CID 142152701
1-bromo-5-(5-bromo-2,3,4-trimethoxy-6-methylphenyl)-2,3,4-trimethoxy-6-methylbenzene;1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene
CID 157222020
3-bromo-2-methoxy-4,6-dimethylphenol
CID 84694160
ethane;1,2,6-trimethoxy-7-methylnaphthalene
CID 143769009
1,4,5,8-tetramethoxynaphthalene
CID 10220551
1,3-dibromo-2,4-dimethoxybenzene
CID 11645053
1,2,8-trimethoxy-7-methylnaphthalene
CID 53254661

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,5,8-trimethoxy-3-methylnaphthalene?
The IUPAC name of 2-bromo-1,5,8-trimethoxy-3-methylnaphthalene (CID 15362269) is 2-bromo-1,5,8-trimethoxy-3-methylnaphthalene.
What is the SMILES notation for 2-bromo-1,5,8-trimethoxy-3-methylnaphthalene?
The canonical SMILES for 2-bromo-1,5,8-trimethoxy-3-methylnaphthalene is COc1ccc(OC)c2c(OC)c(Br)c(C)cc12.
What is the InChIKey of 2-bromo-1,5,8-trimethoxy-3-methylnaphthalene?
The InChIKey is KOBSPYIURVJVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO3/c1-8-7-9-10(16-2)5-6-11(17-3)12(9)14(18-4)13(8)15/h5-7H,1-4H3.
What are the key properties of 2-bromo-1,5,8-trimethoxy-3-methylnaphthalene?
2-bromo-1,5,8-trimethoxy-3-methylnaphthalene has a molecular weight of 311.18 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,5,8-trimethoxy-3-methylnaphthalene is sourced from PubChem (CID 15362269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).