6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene

C12H15Br — CID 10537940

IUPAC6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene
SMILESCC1(C)CCCc2ccc(Br)cc21
InChIInChI=1S/C12H15Br/c1-12(2)7-3-4-9-5-6-10(13)8-11(9)12/h5-6,8H,3-4,7H2,1-2H3
InChIKeyVUAGQOMMVXBEDN-UHFFFAOYSA-N
MW239.16 g/mol
LogP4.06
Rot. Bonds

About 6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene

6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene (PubChem CID 10537940) has the molecular formula C12H15Br and a molecular weight of 239.16 g/mol. Its IUPAC name is 6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Name6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene
PubChem CID10537940
Molecular FormulaC12H15Br
Molecular Weight239.16 g/mol
Exact Mass238.04
IUPAC Name6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene
SMILESCC1(C)CCCc2ccc(Br)cc21
InChIInChI=1S/C12H15Br/c1-12(2)7-3-4-9-5-6-10(13)8-11(9)12/h5-6,8H,3-4,7H2,1-2H3
InChIKeyVUAGQOMMVXBEDN-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene;2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 159131000
ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 143044836
6,7-difluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 90156908
7-bromo-4-methoxy-4-methyl-2,3-dihydro-1H-naphthalene
CID 118326661
(6-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine
CID 84728033
5-bromo-3,3-di(propan-2-yl)-1,2-dihydroindene
CID 169145643
5-bromospiro[1,2-dihydroindene-3,2'-pyrrolidine]
CID 46942192
6-bromo-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 18545988
6-bromo-5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-imidazole]-4'-amine
CID 57386415
6-bromo-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 84729994
7-bromo-1,1-dimethyl-3,4-dihydronaphthalen-2-one
CID 115010938
6-(2-fluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 19036887

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene?
The IUPAC name of 6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene (CID 10537940) is 6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for 6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene?
The canonical SMILES for 6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene is CC1(C)CCCc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene?
The InChIKey is VUAGQOMMVXBEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br/c1-12(2)7-3-4-9-5-6-10(13)8-11(9)12/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene?
6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene has a molecular weight of 239.16 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 10537940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).