6-bromo-5,8-dimethoxynaphthalen-1-ol

C12H11BrO3 — CID 15489720

IUPAC6-bromo-5,8-dimethoxynaphthalen-1-ol
SMILESCOc1c(Br)cc(OC)c2c(O)cccc12
InChIInChI=1S/C12H11BrO3/c1-15-10-6-8(13)12(16-2)7-4-3-5-9(14)11(7)10/h3-6,14H,1-2H3
InChIKeyOKHFXWQMVQAXPJ-UHFFFAOYSA-N
MW283.12 g/mol
LogP3.33
Rot. Bonds2

About 6-bromo-5,8-dimethoxynaphthalen-1-ol

6-bromo-5,8-dimethoxynaphthalen-1-ol (PubChem CID 15489720) has the molecular formula C12H11BrO3 and a molecular weight of 283.12 g/mol. Its IUPAC name is 6-bromo-5,8-dimethoxynaphthalen-1-ol.

Molecular Properties

Compound Name6-bromo-5,8-dimethoxynaphthalen-1-ol
PubChem CID15489720
Molecular FormulaC12H11BrO3
Molecular Weight283.12 g/mol
Exact Mass281.99
IUPAC Name6-bromo-5,8-dimethoxynaphthalen-1-ol
SMILESCOc1c(Br)cc(OC)c2c(O)cccc12
InChIInChI=1S/C12H11BrO3/c1-15-10-6-8(13)12(16-2)7-4-3-5-9(14)11(7)10/h3-6,14H,1-2H3
InChIKeyOKHFXWQMVQAXPJ-UHFFFAOYSA-N
XLogP3.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-8-methoxy-6-methylnaphthalen-1-ol
CID 163914656
8-bromo-7,10-dimethoxyphenanthridine
CID 135038459
5-chloro-7,8-dimethoxynaphthalen-1-ol
CID 86132607
2-bromo-1,4,5,7,8-pentamethoxynaphthalene
CID 139206863
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
6,7,8-trimethoxynaphthalen-1-ol
CID 15073678
6,27-dibromo-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),3,5,7,9,11,13,16,19,21,23,25,27,29-pentadecaene-5,28-diol
CID 11072684
5-methoxy-7-methylnaphthalene-1,4-diol
CID 10608250
7-(8-hydroxy-1,4-dimethoxy-3-methylnaphthalen-2-yl)-5,8-dimethoxy-6-methylnaphthalen-1-ol
CID 13468240
4-bromo-1-methoxyisoquinolin-5-ol
CID 84708016
8-bromo-4-hydroxy-5,6-dimethoxynaphthalene-2-carboxylic acid
CID 73013869
6-amino-8-methoxynaphthalen-1-ol
CID 105443482

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5,8-dimethoxynaphthalen-1-ol?
The IUPAC name of 6-bromo-5,8-dimethoxynaphthalen-1-ol (CID 15489720) is 6-bromo-5,8-dimethoxynaphthalen-1-ol.
What is the SMILES notation for 6-bromo-5,8-dimethoxynaphthalen-1-ol?
The canonical SMILES for 6-bromo-5,8-dimethoxynaphthalen-1-ol is COc1c(Br)cc(OC)c2c(O)cccc12.
What is the InChIKey of 6-bromo-5,8-dimethoxynaphthalen-1-ol?
The InChIKey is OKHFXWQMVQAXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO3/c1-15-10-6-8(13)12(16-2)7-4-3-5-9(14)11(7)10/h3-6,14H,1-2H3.
What are the key properties of 6-bromo-5,8-dimethoxynaphthalen-1-ol?
6-bromo-5,8-dimethoxynaphthalen-1-ol has a molecular weight of 283.12 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5,8-dimethoxynaphthalen-1-ol is sourced from PubChem (CID 15489720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).