1-bromo-2-methoxy-3-methylnaphthalene

C12H11BrO — CID 23018719

IUPAC1-bromo-2-methoxy-3-methylnaphthalene
SMILESCOc1c(C)cc2ccccc2c1Br
InChIInChI=1S/C12H11BrO/c1-8-7-9-5-3-4-6-10(9)11(13)12(8)14-2/h3-7H,1-2H3
InChIKeySXUWNSGNETWEPM-UHFFFAOYSA-N
MW251.12 g/mol
LogP3.92
Rot. Bonds1

About 1-bromo-2-methoxy-3-methylnaphthalene

1-bromo-2-methoxy-3-methylnaphthalene (PubChem CID 23018719) has the molecular formula C12H11BrO and a molecular weight of 251.12 g/mol. Its IUPAC name is 1-bromo-2-methoxy-3-methylnaphthalene.

Molecular Properties

Compound Name1-bromo-2-methoxy-3-methylnaphthalene
PubChem CID23018719
Molecular FormulaC12H11BrO
Molecular Weight251.12 g/mol
Exact Mass250.00
IUPAC Name1-bromo-2-methoxy-3-methylnaphthalene
SMILESCOc1c(C)cc2ccccc2c1Br
InChIInChI=1S/C12H11BrO/c1-8-7-9-5-3-4-6-10(9)11(13)12(8)14-2/h3-7H,1-2H3
InChIKeySXUWNSGNETWEPM-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.12
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-methoxy-3-methylnaphthalene?
The IUPAC name of 1-bromo-2-methoxy-3-methylnaphthalene (CID 23018719) is 1-bromo-2-methoxy-3-methylnaphthalene.
What is the SMILES notation for 1-bromo-2-methoxy-3-methylnaphthalene?
The canonical SMILES for 1-bromo-2-methoxy-3-methylnaphthalene is COc1c(C)cc2ccccc2c1Br.
What is the InChIKey of 1-bromo-2-methoxy-3-methylnaphthalene?
The InChIKey is SXUWNSGNETWEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO/c1-8-7-9-5-3-4-6-10(9)11(13)12(8)14-2/h3-7H,1-2H3.
What are the key properties of 1-bromo-2-methoxy-3-methylnaphthalene?
1-bromo-2-methoxy-3-methylnaphthalene has a molecular weight of 251.12 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-methoxy-3-methylnaphthalene is sourced from PubChem (CID 23018719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).