8-bromo-2,3-dimethyl-1,2-dihydronaphthalene

C12H13Br — CID 143486555

IUPAC8-bromo-2,3-dimethyl-1,2-dihydronaphthalene
SMILESCC1=Cc2cccc(Br)c2CC1C
InChIInChI=1S/C12H13Br/c1-8-6-10-4-3-5-12(13)11(10)7-9(8)2/h3-6,9H,7H2,1-2H3
InChIKeyZGLDKGHFZMJEDA-UHFFFAOYSA-N
MW237.14 g/mol
LogP4.04
Rot. Bonds

About 8-bromo-2,3-dimethyl-1,2-dihydronaphthalene

8-bromo-2,3-dimethyl-1,2-dihydronaphthalene (PubChem CID 143486555) has the molecular formula C12H13Br and a molecular weight of 237.14 g/mol. Its IUPAC name is 8-bromo-2,3-dimethyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name8-bromo-2,3-dimethyl-1,2-dihydronaphthalene
PubChem CID143486555
Molecular FormulaC12H13Br
Molecular Weight237.14 g/mol
Exact Mass236.02
IUPAC Name8-bromo-2,3-dimethyl-1,2-dihydronaphthalene
SMILESCC1=Cc2cccc(Br)c2CC1C
InChIInChI=1S/C12H13Br/c1-8-6-10-4-3-5-12(13)11(10)7-9(8)2/h3-6,9H,7H2,1-2H3
InChIKeyZGLDKGHFZMJEDA-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.14
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-dimethyl-1,2-dihydronaphthalene
CID 121008714
4-bromo-2-methyl-2,3-dihydroinden-1-one;ethane
CID 143769124
(NZ)-N-(4-bromo-2-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine
CID 165411731
(2R)-8-bromo-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 142027727
5-bromo-3,4-dihydronaphthalene-2-carboxylic acid
CID 83843818
2-(4-bromo-2-methyl-2,3-dihydroindol-1-yl)ethanamine
CID 118050177
1-(5-bromo-3,4-dihydronaphthalen-2-yl)pyrrolidine
CID 19043214
(1R)-4-bromo-1,2,2-trimethyl-1,3-dihydroindene
CID 125499315
5-formyl-3-methyl-3,4-dihydronaphthalene-2-carboxylic acid
CID 91476204
7-bromo-2,3-dimethyl-1H-indene
CID 59608909
4-bromo-7-hydroxy-2-methyl-2,3-dihydroinden-1-one
CID 71082807
(5-bromo-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 84635120

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2,3-dimethyl-1,2-dihydronaphthalene?
The IUPAC name of 8-bromo-2,3-dimethyl-1,2-dihydronaphthalene (CID 143486555) is 8-bromo-2,3-dimethyl-1,2-dihydronaphthalene.
What is the SMILES notation for 8-bromo-2,3-dimethyl-1,2-dihydronaphthalene?
The canonical SMILES for 8-bromo-2,3-dimethyl-1,2-dihydronaphthalene is CC1=Cc2cccc(Br)c2CC1C.
What is the InChIKey of 8-bromo-2,3-dimethyl-1,2-dihydronaphthalene?
The InChIKey is ZGLDKGHFZMJEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br/c1-8-6-10-4-3-5-12(13)11(10)7-9(8)2/h3-6,9H,7H2,1-2H3.
What are the key properties of 8-bromo-2,3-dimethyl-1,2-dihydronaphthalene?
8-bromo-2,3-dimethyl-1,2-dihydronaphthalene has a molecular weight of 237.14 g/mol, XLogP of 4.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2,3-dimethyl-1,2-dihydronaphthalene is sourced from PubChem (CID 143486555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).