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

C12H15Br — CID 144794657

IUPAC6-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalene
SMILESCC1(C)CCc2ccc(Br)cc2C1
InChIInChI=1S/C12H15Br/c1-12(2)6-5-9-3-4-11(13)7-10(9)8-12/h3-4,7H,5-6,8H2,1-2H3
InChIKeyFRXAEVCGAIZXCQ-UHFFFAOYSA-N
MW239.16 g/mol
LogP3.96
Rot. Bonds

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

6-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalene (PubChem CID 144794657) has the molecular formula C12H15Br and a molecular weight of 239.16 g/mol. Its IUPAC name is 6-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalene.

Molecular Properties

Compound Name6-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalene
PubChem CID144794657
Molecular FormulaC12H15Br
Molecular Weight239.16 g/mol
Exact Mass238.04
IUPAC Name6-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalene
SMILESCC1(C)CCc2ccc(Br)cc2C1
InChIInChI=1S/C12H15Br/c1-12(2)6-5-9-3-4-11(13)7-10(9)8-12/h3-4,7H,5-6,8H2,1-2H3
InChIKeyFRXAEVCGAIZXCQ-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(2S)-7-bromo-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-diethylsilane
CID 159790681
5-bromo-2-methyl-1,3-dihydroinden-2-ol
CID 122530552
3-bromobicyclo[4.2.0]octa-1(6),2,4-triene
CID 10866980
6-bromospiro[1,2-dihydroindene-3,1'-cyclopropane];ethane
CID 145339117
methyl (2R)-2-amino-7-bromo-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 58466875
7-bromo-3,3,4,4-tetramethyl-1,2-dihydronaphthalene
CID 175335793
7-bromo-4-methoxy-4-methyl-2,3-dihydro-1H-naphthalene
CID 118326661
6'-bromospiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]
CID 58467136
2,7-dibromo-10,10-dimethyl-9H-anthracene
CID 141458589
6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 10537940
3-bromo-N,7,7-trimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 62934035
6-bromo-2,2-dimethyl-3,4-dihydro-1H-quinoline
CID 18620064

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalene?
The IUPAC name of 6-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalene (CID 144794657) is 6-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalene.
What is the SMILES notation for 6-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalene?
The canonical SMILES for 6-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalene is CC1(C)CCc2ccc(Br)cc2C1.
What is the InChIKey of 6-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalene?
The InChIKey is FRXAEVCGAIZXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br/c1-12(2)6-5-9-3-4-11(13)7-10(9)8-12/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 6-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalene?
6-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalene has a molecular weight of 239.16 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalene is sourced from PubChem (CID 144794657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).