1-bromo-3-(1,3-dimethylcyclobutyl)benzene

C12H15Br — CID 169179342

IUPAC1-bromo-3-(1,3-dimethylcyclobutyl)benzene
SMILESCC1CC(C)(c2cccc(Br)c2)C1
InChIInChI=1S/C12H15Br/c1-9-7-12(2,8-9)10-4-3-5-11(13)6-10/h3-6,9H,7-8H2,1-2H3
InChIKeyLHZUNZIKWPPROA-UHFFFAOYSA-N
MW239.16 g/mol
LogP4.14
Rot. Bonds1

About 1-bromo-3-(1,3-dimethylcyclobutyl)benzene

1-bromo-3-(1,3-dimethylcyclobutyl)benzene (PubChem CID 169179342) has the molecular formula C12H15Br and a molecular weight of 239.16 g/mol. Its IUPAC name is 1-bromo-3-(1,3-dimethylcyclobutyl)benzene.

Molecular Properties

Compound Name1-bromo-3-(1,3-dimethylcyclobutyl)benzene
PubChem CID169179342
Molecular FormulaC12H15Br
Molecular Weight239.16 g/mol
Exact Mass238.04
IUPAC Name1-bromo-3-(1,3-dimethylcyclobutyl)benzene
SMILESCC1CC(C)(c2cccc(Br)c2)C1
InChIInChI=1S/C12H15Br/c1-9-7-12(2,8-9)10-4-3-5-11(13)6-10/h3-6,9H,7-8H2,1-2H3
InChIKeyLHZUNZIKWPPROA-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-3-(1-ethenyl-3-methylcyclobutyl)benzene
CID 170948533
1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylic acid
CID 83488510
2-(3-bromophenyl)-2,5-dimethyl-1,3-oxazolidine
CID 117229092
2-(3-bromophenyl)-2,4-dimethyl-1,3-oxazolidine
CID 117228454
5-[1-(3-bromophenyl)-3-methylcyclobutyl]-4-methyl-1,5-dihydro-1,2,4-triazole
CID 170736844
methyl 1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylate
CID 116843024
2-(3-bromophenyl)-4-fluoro-2-methylpiperidine
CID 115050602
1,3-bis(3-bromophenyl)adamantane
CID 13449972
3-[1-(3-bromophenyl)-3-methylcyclobutyl]-4-methyl-1H-1,2,4-triazole-5-thione
CID 155749465
[(4S,6S)-4-(3-bromophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]methanol
CID 141324987
1-(3-bromophenyl)cyclopropan-1-amine
CID 11127564
1-[1-(3-bromophenyl)-3-methylcyclobutanecarbonyl]-1-(methylamino)thiourea
CID 171781426

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(1,3-dimethylcyclobutyl)benzene?
The IUPAC name of 1-bromo-3-(1,3-dimethylcyclobutyl)benzene (CID 169179342) is 1-bromo-3-(1,3-dimethylcyclobutyl)benzene.
What is the SMILES notation for 1-bromo-3-(1,3-dimethylcyclobutyl)benzene?
The canonical SMILES for 1-bromo-3-(1,3-dimethylcyclobutyl)benzene is CC1CC(C)(c2cccc(Br)c2)C1.
What is the InChIKey of 1-bromo-3-(1,3-dimethylcyclobutyl)benzene?
The InChIKey is LHZUNZIKWPPROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br/c1-9-7-12(2,8-9)10-4-3-5-11(13)6-10/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 1-bromo-3-(1,3-dimethylcyclobutyl)benzene?
1-bromo-3-(1,3-dimethylcyclobutyl)benzene has a molecular weight of 239.16 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(1,3-dimethylcyclobutyl)benzene is sourced from PubChem (CID 169179342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).