2,3-dibromo-3,4-dimethyl-2,4-dihydro-1H-naphthalene

C12H14Br2 — CID 102018319

IUPAC2,3-dibromo-3,4-dimethyl-2,4-dihydro-1H-naphthalene
SMILESCC1c2ccccc2CC(Br)C1(C)Br
InChIInChI=1S/C12H14Br2/c1-8-10-6-4-3-5-9(10)7-11(13)12(8,2)14/h3-6,8,11H,7H2,1-2H3
InChIKeyHJPHATNFRRVBTR-UHFFFAOYSA-N
MW318.05 g/mol
LogP4.26
Rot. Bonds

About 2,3-dibromo-3,4-dimethyl-2,4-dihydro-1H-naphthalene

2,3-dibromo-3,4-dimethyl-2,4-dihydro-1H-naphthalene (PubChem CID 102018319) has the molecular formula C12H14Br2 and a molecular weight of 318.05 g/mol. Its IUPAC name is 2,3-dibromo-3,4-dimethyl-2,4-dihydro-1H-naphthalene.

Molecular Properties

Compound Name2,3-dibromo-3,4-dimethyl-2,4-dihydro-1H-naphthalene
PubChem CID102018319
Molecular FormulaC12H14Br2
Molecular Weight318.05 g/mol
Exact Mass315.95
IUPAC Name2,3-dibromo-3,4-dimethyl-2,4-dihydro-1H-naphthalene
SMILESCC1c2ccccc2CC(Br)C1(C)Br
InChIInChI=1S/C12H14Br2/c1-8-10-6-4-3-5-9(10)7-11(13)12(8,2)14/h3-6,8,11H,7H2,1-2H3
InChIKeyHJPHATNFRRVBTR-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.05
LogP ≤ 54.26
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

1,2-dimethyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene
CID 23051140
(1S)-1-methyl-2,3-dihydro-1H-inden-2-ol
CID 89059414
1-bromo-3-methyl-1,2,3,4-tetrahydronaphthalene
CID 78952250
ethane;3,3,4-trimethyl-2,4-dihydro-1H-naphthalene
CID 144627075
(1S)-2,3-dihydro-1H-indene-1,2-diol
CID 68820122
(1R,2R)-1-methyl-2-phenyl-1,3-dihydroinden-2-ol
CID 14449205
(1S,2S)-2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 15696258
2-methyl-1-[(1S,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,3-dihydro-1H-indene
CID 59390096
2,3-dihydro-1H-indene-1,2-dicarboxylic acid
CID 21427203
1-bromo-2-methyl-1,3-dihydroinden-2-ol
CID 174888924
2-(4,4-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-ol
CID 62930073
(1S)-1-bromo-2,3-dihydro-1H-inden-2-amine
CID 142687946

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-3,4-dimethyl-2,4-dihydro-1H-naphthalene?
The IUPAC name of 2,3-dibromo-3,4-dimethyl-2,4-dihydro-1H-naphthalene (CID 102018319) is 2,3-dibromo-3,4-dimethyl-2,4-dihydro-1H-naphthalene.
What is the SMILES notation for 2,3-dibromo-3,4-dimethyl-2,4-dihydro-1H-naphthalene?
The canonical SMILES for 2,3-dibromo-3,4-dimethyl-2,4-dihydro-1H-naphthalene is CC1c2ccccc2CC(Br)C1(C)Br.
What is the InChIKey of 2,3-dibromo-3,4-dimethyl-2,4-dihydro-1H-naphthalene?
The InChIKey is HJPHATNFRRVBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2/c1-8-10-6-4-3-5-9(10)7-11(13)12(8,2)14/h3-6,8,11H,7H2,1-2H3.
What are the key properties of 2,3-dibromo-3,4-dimethyl-2,4-dihydro-1H-naphthalene?
2,3-dibromo-3,4-dimethyl-2,4-dihydro-1H-naphthalene has a molecular weight of 318.05 g/mol, XLogP of 4.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-3,4-dimethyl-2,4-dihydro-1H-naphthalene is sourced from PubChem (CID 102018319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).