4-bromo-8-methoxy-6-methylnaphthalen-1-ol

C12H11BrO2 — CID 163914656

IUPAC4-bromo-8-methoxy-6-methylnaphthalen-1-ol
SMILESCOc1cc(C)cc2c(Br)ccc(O)c12
InChIInChI=1S/C12H11BrO2/c1-7-5-8-9(13)3-4-10(14)12(8)11(6-7)15-2/h3-6,14H,1-2H3
InChIKeyQVELRHJYLUHOCC-UHFFFAOYSA-N
MW267.12 g/mol
LogP3.62
Rot. Bonds1

About 4-bromo-8-methoxy-6-methylnaphthalen-1-ol

4-bromo-8-methoxy-6-methylnaphthalen-1-ol (PubChem CID 163914656) has the molecular formula C12H11BrO2 and a molecular weight of 267.12 g/mol. Its IUPAC name is 4-bromo-8-methoxy-6-methylnaphthalen-1-ol.

Molecular Properties

Compound Name4-bromo-8-methoxy-6-methylnaphthalen-1-ol
PubChem CID163914656
Molecular FormulaC12H11BrO2
Molecular Weight267.12 g/mol
Exact Mass265.99
IUPAC Name4-bromo-8-methoxy-6-methylnaphthalen-1-ol
SMILESCOc1cc(C)cc2c(Br)ccc(O)c12
InChIInChI=1S/C12H11BrO2/c1-7-5-8-9(13)3-4-10(14)12(8)11(6-7)15-2/h3-6,14H,1-2H3
InChIKeyQVELRHJYLUHOCC-UHFFFAOYSA-N
XLogP3.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.12
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-7-methylnaphthalene-1,4-diol
CID 10608250
6-bromo-5,8-dimethoxynaphthalen-1-ol
CID 15489720
5-bromo-1-methoxy-3-methyl-8-phenylmethoxynaphthalene
CID 11035690
2-(1-hydroxy-4,5-dimethoxy-7-methylnaphthalen-2-yl)-4,5-dimethoxy-7-methylnaphthalen-1-ol
CID 101353677
5-bromo-4-methoxy-2-methylquinolin-8-ol
CID 82581196
4-(2,5-dihydroxy-4-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-3-methylnaphthalene-1,7-diol
CID 162881425
4-bromo-8-methoxy-6-methylisoquinoline
CID 122457536
7-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-6-ol
CID 4534320
sodium;hydride;2-methoxy-4-methylphenol
CID 174706082
6-bromo-8,11,16,17,22,25-hexamethoxyheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3,5,7,9,11,13,16,19,21(30),22,24,26,28-pentadecaene-5,28-diol
CID 11966805
5,7-dimethoxy-3-methylnaphthalen-1-ol
CID 15404113
5-methoxy-7-methylnaphthalen-2-ol
CID 10655221

Frequently Asked Questions

What is the IUPAC name of 4-bromo-8-methoxy-6-methylnaphthalen-1-ol?
The IUPAC name of 4-bromo-8-methoxy-6-methylnaphthalen-1-ol (CID 163914656) is 4-bromo-8-methoxy-6-methylnaphthalen-1-ol.
What is the SMILES notation for 4-bromo-8-methoxy-6-methylnaphthalen-1-ol?
The canonical SMILES for 4-bromo-8-methoxy-6-methylnaphthalen-1-ol is COc1cc(C)cc2c(Br)ccc(O)c12.
What is the InChIKey of 4-bromo-8-methoxy-6-methylnaphthalen-1-ol?
The InChIKey is QVELRHJYLUHOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO2/c1-7-5-8-9(13)3-4-10(14)12(8)11(6-7)15-2/h3-6,14H,1-2H3.
What are the key properties of 4-bromo-8-methoxy-6-methylnaphthalen-1-ol?
4-bromo-8-methoxy-6-methylnaphthalen-1-ol has a molecular weight of 267.12 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-8-methoxy-6-methylnaphthalen-1-ol is sourced from PubChem (CID 163914656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).