2-bromo-5-methoxynaphthalen-1-ol

C11H9BrO2 — CID 14765348

IUPAC2-bromo-5-methoxynaphthalen-1-ol
SMILESCOc1cccc2c(O)c(Br)ccc12
InChIInChI=1S/C11H9BrO2/c1-14-10-4-2-3-8-7(10)5-6-9(12)11(8)13/h2-6,13H,1H3
InChIKeyJMZQJZOUTLSWHH-UHFFFAOYSA-N
MW253.09 g/mol
LogP3.32
Rot. Bonds1

About 2-bromo-5-methoxynaphthalen-1-ol

2-bromo-5-methoxynaphthalen-1-ol (PubChem CID 14765348) has the molecular formula C11H9BrO2 and a molecular weight of 253.09 g/mol. Its IUPAC name is 2-bromo-5-methoxynaphthalen-1-ol.

Molecular Properties

Compound Name2-bromo-5-methoxynaphthalen-1-ol
PubChem CID14765348
Molecular FormulaC11H9BrO2
Molecular Weight253.09 g/mol
Exact Mass251.98
IUPAC Name2-bromo-5-methoxynaphthalen-1-ol
SMILESCOc1cccc2c(O)c(Br)ccc12
InChIInChI=1S/C11H9BrO2/c1-14-10-4-2-3-8-7(10)5-6-9(12)11(8)13/h2-6,13H,1H3
InChIKeyJMZQJZOUTLSWHH-UHFFFAOYSA-N
XLogP3.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.09
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methoxy-1-naphthol
CID 66542
2,6-Dibromo-1,5-naphthalenediol
CID 96260
2-Bromo-6-methoxynaphthalene
CID 78786
2-Naphthalenol, 3-bromo-
CID 45943
1-Bromo-2-methoxynaphthalene
CID 72860
1-Bromo-4-methoxynaphthalene
CID 138521
(S)-3,3'-Dibromo-2,2'-dimethoxy-1,1'-binaphthyl
CID 394170
1,6-Dibromo-2-methoxy-naphthalene
CID 3503057
2-Bromo-3-methoxynaphthalene
CID 13351910
(R)-5-bromo-2-((2,2-dimethyl-6-methylenecyclohexyl)methyl)-4-methoxyphenol
CID 9949772
5-Bromo-2-((S)-2,2-dimethyl-6-methylene-cyclohexylmethyl)-4-methoxy-phenol
CID 10337245
5-Bromo-2-(2,2-dimethyl-6-methylene-cyclohexylmethyl)-4-methoxy-phenol
CID 10593144

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxynaphthalen-1-ol?
The IUPAC name of 2-bromo-5-methoxynaphthalen-1-ol (CID 14765348) is 2-bromo-5-methoxynaphthalen-1-ol.
What is the SMILES notation for 2-bromo-5-methoxynaphthalen-1-ol?
The canonical SMILES for 2-bromo-5-methoxynaphthalen-1-ol is COc1cccc2c(O)c(Br)ccc12.
What is the InChIKey of 2-bromo-5-methoxynaphthalen-1-ol?
The InChIKey is JMZQJZOUTLSWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrO2/c1-14-10-4-2-3-8-7(10)5-6-9(12)11(8)13/h2-6,13H,1H3.
What are the key properties of 2-bromo-5-methoxynaphthalen-1-ol?
2-bromo-5-methoxynaphthalen-1-ol has a molecular weight of 253.09 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxynaphthalen-1-ol is sourced from PubChem (CID 14765348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).