5-bromo-1-methyl-2,3-dihydronaphthalene

C11H11Br — CID 143041674

IUPAC5-bromo-1-methyl-2,3-dihydronaphthalene
SMILESCC1=c2cccc(Br)c2=CCC1
InChIInChI=1S/C11H11Br/c1-8-4-2-6-10-9(8)5-3-7-11(10)12/h3,5-7H,2,4H2,1H3
InChIKeyIVCLYJDRMSBZHX-UHFFFAOYSA-N
MW223.11 g/mol
LogP2.19
Rot. Bonds

About 5-bromo-1-methyl-2,3-dihydronaphthalene

5-bromo-1-methyl-2,3-dihydronaphthalene (PubChem CID 143041674) has the molecular formula C11H11Br and a molecular weight of 223.11 g/mol. Its IUPAC name is 5-bromo-1-methyl-2,3-dihydronaphthalene.

Molecular Properties

Compound Name5-bromo-1-methyl-2,3-dihydronaphthalene
PubChem CID143041674
Molecular FormulaC11H11Br
Molecular Weight223.11 g/mol
Exact Mass222.00
IUPAC Name5-bromo-1-methyl-2,3-dihydronaphthalene
SMILESCC1=c2cccc(Br)c2=CCC1
InChIInChI=1S/C11H11Br/c1-8-4-2-6-10-9(8)5-3-7-11(10)12/h3,5-7H,2,4H2,1H3
InChIKeyIVCLYJDRMSBZHX-UHFFFAOYSA-N
XLogP2.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.11
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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8-bromo-5-(4-bromo-2-methyl-6,7-dihydronaphthalen-1-yl)-6-methyl-2,3-dihydronaphthalene
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-2,3-dihydronaphthalene?
The IUPAC name of 5-bromo-1-methyl-2,3-dihydronaphthalene (CID 143041674) is 5-bromo-1-methyl-2,3-dihydronaphthalene.
What is the SMILES notation for 5-bromo-1-methyl-2,3-dihydronaphthalene?
The canonical SMILES for 5-bromo-1-methyl-2,3-dihydronaphthalene is CC1=c2cccc(Br)c2=CCC1.
What is the InChIKey of 5-bromo-1-methyl-2,3-dihydronaphthalene?
The InChIKey is IVCLYJDRMSBZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br/c1-8-4-2-6-10-9(8)5-3-7-11(10)12/h3,5-7H,2,4H2,1H3.
What are the key properties of 5-bromo-1-methyl-2,3-dihydronaphthalene?
5-bromo-1-methyl-2,3-dihydronaphthalene has a molecular weight of 223.11 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-2,3-dihydronaphthalene is sourced from PubChem (CID 143041674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).