2-bromo-1,4,5,8-tetramethoxy-3-methylnaphthalene

C15H17BrO4 — CID 15362253

IUPAC2-bromo-1,4,5,8-tetramethoxy-3-methylnaphthalene
SMILESCOc1ccc(OC)c2c(OC)c(Br)c(C)c(OC)c12
InChIInChI=1S/C15H17BrO4/c1-8-13(16)15(20-5)12-10(18-3)7-6-9(17-2)11(12)14(8)19-4/h6-7H,1-5H3
InChIKeyNJBFDBNEFMOVQS-UHFFFAOYSA-N
MW341.20 g/mol
LogP3.95
Rot. Bonds4

About 2-bromo-1,4,5,8-tetramethoxy-3-methylnaphthalene

2-bromo-1,4,5,8-tetramethoxy-3-methylnaphthalene (PubChem CID 15362253) has the molecular formula C15H17BrO4 and a molecular weight of 341.20 g/mol. Its IUPAC name is 2-bromo-1,4,5,8-tetramethoxy-3-methylnaphthalene.

Molecular Properties

Compound Name2-bromo-1,4,5,8-tetramethoxy-3-methylnaphthalene
PubChem CID15362253
Molecular FormulaC15H17BrO4
Molecular Weight341.20 g/mol
Exact Mass340.03
IUPAC Name2-bromo-1,4,5,8-tetramethoxy-3-methylnaphthalene
SMILESCOc1ccc(OC)c2c(OC)c(Br)c(C)c(OC)c12
InChIInChI=1S/C15H17BrO4/c1-8-13(16)15(20-5)12-10(18-3)7-6-9(17-2)11(12)14(8)19-4/h6-7H,1-5H3
InChIKeyNJBFDBNEFMOVQS-UHFFFAOYSA-N
XLogP3.95
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-1,5,8-trimethoxy-3-methylnaphthalene
CID 15362269
2-bromo-4-(1-hydroxy-4,5,8-trimethoxy-3-methylnaphthalen-2-yl)-5,8-dimethoxy-3-methylnaphthalen-1-ol
CID 635901
1,4,5,8-tetramethoxynaphthalene
CID 10220551
1,3-dibromo-2,4-dimethoxybenzene
CID 11645053
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
2-bromo-4-methoxy-3-methylphenol
CID 54571766
6,7-dichloro-1,4,9,10-tetramethoxyanthracene
CID 139930251
1,3,6,8-tetrabromo-2,7-dimethoxypyrene
CID 170567167
7-bromo-4-methoxy-2,3-dimethyl-1H-indole
CID 130049908
2-(3-bromo-2,5-dimethoxy-4-methylphenyl)propan-2-amine
CID 117465358
2-bromo-6-methoxy-3-methylaniline
CID 84784559
6-bromo-3-methoxy-2-methylaniline
CID 67280395

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,4,5,8-tetramethoxy-3-methylnaphthalene?
The IUPAC name of 2-bromo-1,4,5,8-tetramethoxy-3-methylnaphthalene (CID 15362253) is 2-bromo-1,4,5,8-tetramethoxy-3-methylnaphthalene.
What is the SMILES notation for 2-bromo-1,4,5,8-tetramethoxy-3-methylnaphthalene?
The canonical SMILES for 2-bromo-1,4,5,8-tetramethoxy-3-methylnaphthalene is COc1ccc(OC)c2c(OC)c(Br)c(C)c(OC)c12.
What is the InChIKey of 2-bromo-1,4,5,8-tetramethoxy-3-methylnaphthalene?
The InChIKey is NJBFDBNEFMOVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrO4/c1-8-13(16)15(20-5)12-10(18-3)7-6-9(17-2)11(12)14(8)19-4/h6-7H,1-5H3.
What are the key properties of 2-bromo-1,4,5,8-tetramethoxy-3-methylnaphthalene?
2-bromo-1,4,5,8-tetramethoxy-3-methylnaphthalene has a molecular weight of 341.20 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,4,5,8-tetramethoxy-3-methylnaphthalene is sourced from PubChem (CID 15362253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).