1-bromo-3-methyl-1,2,3,4-tetrahydronaphthalene

C11H13Br — CID 78952250

IUPAC1-bromo-3-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCC1Cc2ccccc2C(Br)C1
InChIInChI=1S/C11H13Br/c1-8-6-9-4-2-3-5-10(9)11(12)7-8/h2-5,8,11H,6-7H2,1H3
InChIKeyGUNYIMCGTIXULK-UHFFFAOYSA-N
MW225.13 g/mol
LogP3.70
Rot. Bonds

About 1-bromo-3-methyl-1,2,3,4-tetrahydronaphthalene

1-bromo-3-methyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 78952250) has the molecular formula C11H13Br and a molecular weight of 225.13 g/mol. Its IUPAC name is 1-bromo-3-methyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-bromo-3-methyl-1,2,3,4-tetrahydronaphthalene
PubChem CID78952250
Molecular FormulaC11H13Br
Molecular Weight225.13 g/mol
Exact Mass224.02
IUPAC Name1-bromo-3-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCC1Cc2ccccc2C(Br)C1
InChIInChI=1S/C11H13Br/c1-8-6-9-4-2-3-5-10(9)11(12)7-8/h2-5,8,11H,6-7H2,1H3
InChIKeyGUNYIMCGTIXULK-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.13
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3-dibromo-1,2,3,4-tetrahydronaphthalene
CID 3023387
5-bromo-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63514780
3-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 582249
4-(3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenol
CID 15629688
methane;2-methyl-2,3-dihydro-1H-indene
CID 142040721
(1S)-2,3-dihydro-1H-indene-1,2-diol
CID 68820122
2,3-dibromo-3,4-dimethyl-2,4-dihydro-1H-naphthalene
CID 102018319
4-bromo-3,4-dihydro-1H-naphthalen-2-one
CID 143469044
(1S)-1-methyl-2,3-dihydro-1H-inden-2-ol
CID 89059414
3-methyl-1-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 166479897
1-tert-butyl-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 64689582
5-bromo-5,6,8,9-tetrahydrobenzo[7]annulen-7-one
CID 68625742

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-methyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-bromo-3-methyl-1,2,3,4-tetrahydronaphthalene (CID 78952250) is 1-bromo-3-methyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-bromo-3-methyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-bromo-3-methyl-1,2,3,4-tetrahydronaphthalene is CC1Cc2ccccc2C(Br)C1.
What is the InChIKey of 1-bromo-3-methyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is GUNYIMCGTIXULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br/c1-8-6-9-4-2-3-5-10(9)11(12)7-8/h2-5,8,11H,6-7H2,1H3.
What are the key properties of 1-bromo-3-methyl-1,2,3,4-tetrahydronaphthalene?
1-bromo-3-methyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 225.13 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-methyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 78952250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).