6-bromo-1,1,4,4-tetramethyl-7-[1-(4-methylphenyl)ethenyl]-2,3-dihydronaphthalene

C23H27Br — CID 69480296

IUPAC6-bromo-1,1,4,4-tetramethyl-7-[1-(4-methylphenyl)ethenyl]-2,3-dihydronaphthalene
SMILESC=C(c1ccc(C)cc1)c1cc2c(cc1Br)C(C)(C)CCC2(C)C
InChIInChI=1S/C23H27Br/c1-15-7-9-17(10-8-15)16(2)18-13-19-20(14-21(18)24)23(5,6)12-11-22(19,3)4/h7-10,13-14H,2,11-12H2,1,3-6H3
InChIKeyRFYONHNOAGQQEV-UHFFFAOYSA-N
MW383.37 g/mol
LogP7.17
Rot. Bonds2

About 6-bromo-1,1,4,4-tetramethyl-7-[1-(4-methylphenyl)ethenyl]-2,3-dihydronaphthalene

6-bromo-1,1,4,4-tetramethyl-7-[1-(4-methylphenyl)ethenyl]-2,3-dihydronaphthalene (PubChem CID 69480296) has the molecular formula C23H27Br and a molecular weight of 383.37 g/mol. Its IUPAC name is 6-bromo-1,1,4,4-tetramethyl-7-[1-(4-methylphenyl)ethenyl]-2,3-dihydronaphthalene.

Molecular Properties

Compound Name6-bromo-1,1,4,4-tetramethyl-7-[1-(4-methylphenyl)ethenyl]-2,3-dihydronaphthalene
PubChem CID69480296
Molecular FormulaC23H27Br
Molecular Weight383.37 g/mol
Exact Mass382.13
IUPAC Name6-bromo-1,1,4,4-tetramethyl-7-[1-(4-methylphenyl)ethenyl]-2,3-dihydronaphthalene
SMILESC=C(c1ccc(C)cc1)c1cc2c(cc1Br)C(C)(C)CCC2(C)C
InChIInChI=1S/C23H27Br/c1-15-7-9-17(10-8-15)16(2)18-13-19-20(14-21(18)24)23(5,6)12-11-22(19,3)4/h7-10,13-14H,2,11-12H2,1,3-6H3
InChIKeyRFYONHNOAGQQEV-UHFFFAOYSA-N
XLogP7.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.37
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5,5,8,8-tetramethyl-3-[1-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-ol
CID 69479943
4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl](11C)benzoic acid
CID 170653108
2-[1-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid
CID 67664829
4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzenesulfonic acid
CID 118343110
bis(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone
CID 22992387
N-(3-methylphenyl)-4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide
CID 90348625
1,1,4,4,6-pentamethyl-7-[1-(4-methylphenyl)ethenyl]-2,3-dihydronaphthalene;4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetyl]benzoic acid
CID 159113507
4-[1-[3-(1-fluoroethyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]ethenyl]benzoic acid
CID 146820581
[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)ethenyl]phenyl] formate
CID 174946397
methyl 4-[1-(3-chloro-5,5-dimethylspiro[6,7-dihydronaphthalene-8,1'-cyclopropane]-2-yl)ethenyl]benzoate
CID 152899040
(4-aminophenyl) 4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate
CID 20707155
2,2-dimethyl-5-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-1,3-dioxane-4,6-dione
CID 91334937

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,1,4,4-tetramethyl-7-[1-(4-methylphenyl)ethenyl]-2,3-dihydronaphthalene?
The IUPAC name of 6-bromo-1,1,4,4-tetramethyl-7-[1-(4-methylphenyl)ethenyl]-2,3-dihydronaphthalene (CID 69480296) is 6-bromo-1,1,4,4-tetramethyl-7-[1-(4-methylphenyl)ethenyl]-2,3-dihydronaphthalene.
What is the SMILES notation for 6-bromo-1,1,4,4-tetramethyl-7-[1-(4-methylphenyl)ethenyl]-2,3-dihydronaphthalene?
The canonical SMILES for 6-bromo-1,1,4,4-tetramethyl-7-[1-(4-methylphenyl)ethenyl]-2,3-dihydronaphthalene is C=C(c1ccc(C)cc1)c1cc2c(cc1Br)C(C)(C)CCC2(C)C.
What is the InChIKey of 6-bromo-1,1,4,4-tetramethyl-7-[1-(4-methylphenyl)ethenyl]-2,3-dihydronaphthalene?
The InChIKey is RFYONHNOAGQQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27Br/c1-15-7-9-17(10-8-15)16(2)18-13-19-20(14-21(18)24)23(5,6)12-11-22(19,3)4/h7-10,13-14H,2,11-12H2,1,3-6H3.
What are the key properties of 6-bromo-1,1,4,4-tetramethyl-7-[1-(4-methylphenyl)ethenyl]-2,3-dihydronaphthalene?
6-bromo-1,1,4,4-tetramethyl-7-[1-(4-methylphenyl)ethenyl]-2,3-dihydronaphthalene has a molecular weight of 383.37 g/mol, XLogP of 7.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,1,4,4-tetramethyl-7-[1-(4-methylphenyl)ethenyl]-2,3-dihydronaphthalene is sourced from PubChem (CID 69480296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).