2-bromo-3-methylnaphthalene-1,4-diol

C11H9BrO2 — CID 5184557

IUPAC2-bromo-3-methylnaphthalene-1,4-diol
SMILESCc1c(Br)c(O)c2ccccc2c1O
InChIInChI=1S/C11H9BrO2/c1-6-9(12)11(14)8-5-3-2-4-7(8)10(6)13/h2-5,13-14H,1H3
InChIKeyRKLZIYSQSHJQFC-UHFFFAOYSA-N
MW253.09 g/mol
LogP3.32
Rot. Bonds

About 2-bromo-3-methylnaphthalene-1,4-diol

2-bromo-3-methylnaphthalene-1,4-diol (PubChem CID 5184557) has the molecular formula C11H9BrO2 and a molecular weight of 253.09 g/mol. Its IUPAC name is 2-bromo-3-methylnaphthalene-1,4-diol.

Molecular Properties

Compound Name2-bromo-3-methylnaphthalene-1,4-diol
PubChem CID5184557
Molecular FormulaC11H9BrO2
Molecular Weight253.09 g/mol
Exact Mass251.98
IUPAC Name2-bromo-3-methylnaphthalene-1,4-diol
SMILESCc1c(Br)c(O)c2ccccc2c1O
InChIInChI=1S/C11H9BrO2/c1-6-9(12)11(14)8-5-3-2-4-7(8)10(6)13/h2-5,13-14H,1H3
InChIKeyRKLZIYSQSHJQFC-UHFFFAOYSA-N
XLogP3.32
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.09
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methylnaphthalene-1,4-diol?
The IUPAC name of 2-bromo-3-methylnaphthalene-1,4-diol (CID 5184557) is 2-bromo-3-methylnaphthalene-1,4-diol.
What is the SMILES notation for 2-bromo-3-methylnaphthalene-1,4-diol?
The canonical SMILES for 2-bromo-3-methylnaphthalene-1,4-diol is Cc1c(Br)c(O)c2ccccc2c1O.
What is the InChIKey of 2-bromo-3-methylnaphthalene-1,4-diol?
The InChIKey is RKLZIYSQSHJQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrO2/c1-6-9(12)11(14)8-5-3-2-4-7(8)10(6)13/h2-5,13-14H,1H3.
What are the key properties of 2-bromo-3-methylnaphthalene-1,4-diol?
2-bromo-3-methylnaphthalene-1,4-diol has a molecular weight of 253.09 g/mol, XLogP of 3.32, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methylnaphthalene-1,4-diol is sourced from PubChem (CID 5184557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).