1-bromo-3-(2-cyclobutylphenyl)-2-methylbenzene

C17H17Br — CID 144658616

IUPAC1-bromo-3-(2-cyclobutylphenyl)-2-methylbenzene
SMILESCc1c(Br)cccc1-c1ccccc1C1CCC1
InChIInChI=1S/C17H17Br/c1-12-14(10-5-11-17(12)18)16-9-3-2-8-15(16)13-6-4-7-13/h2-3,5,8-11,13H,4,6-7H2,1H3
InChIKeyKXDMNODQIFPRPJ-UHFFFAOYSA-N
MW301.23 g/mol
LogP5.69
Rot. Bonds2

About 1-bromo-3-(2-cyclobutylphenyl)-2-methylbenzene

1-bromo-3-(2-cyclobutylphenyl)-2-methylbenzene (PubChem CID 144658616) has the molecular formula C17H17Br and a molecular weight of 301.23 g/mol. Its IUPAC name is 1-bromo-3-(2-cyclobutylphenyl)-2-methylbenzene.

Molecular Properties

Compound Name1-bromo-3-(2-cyclobutylphenyl)-2-methylbenzene
PubChem CID144658616
Molecular FormulaC17H17Br
Molecular Weight301.23 g/mol
Exact Mass300.05
IUPAC Name1-bromo-3-(2-cyclobutylphenyl)-2-methylbenzene
SMILESCc1c(Br)cccc1-c1ccccc1C1CCC1
InChIInChI=1S/C17H17Br/c1-12-14(10-5-11-17(12)18)16-9-3-2-8-15(16)13-6-4-7-13/h2-3,5,8-11,13H,4,6-7H2,1H3
InChIKeyKXDMNODQIFPRPJ-UHFFFAOYSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.23
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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(3S)-3-(3-bromo-2-methylphenyl)piperidine
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3-(3-bromo-2-methylphenyl)-2-methylphenol
CID 167107181
1-bromo-4-(2-cyclohexylphenyl)benzene
CID 156557060
2-[2-(2-cyclohexylphenyl)phenyl]benzene-1,3-dicarbaldehyde
CID 87274435
2-(2-cyclobutylphenyl)-4-methylbenzoic acid
CID 114605088
1-cyclobutyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene
CID 156827095
(2,3-dimethylphenyl)cyclodecane
CID 21161883
3-(2-cyclobutylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione
CID 106522370
N-(3-bromo-2-methylphenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 107630252

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(2-cyclobutylphenyl)-2-methylbenzene?
The IUPAC name of 1-bromo-3-(2-cyclobutylphenyl)-2-methylbenzene (CID 144658616) is 1-bromo-3-(2-cyclobutylphenyl)-2-methylbenzene.
What is the SMILES notation for 1-bromo-3-(2-cyclobutylphenyl)-2-methylbenzene?
The canonical SMILES for 1-bromo-3-(2-cyclobutylphenyl)-2-methylbenzene is Cc1c(Br)cccc1-c1ccccc1C1CCC1.
What is the InChIKey of 1-bromo-3-(2-cyclobutylphenyl)-2-methylbenzene?
The InChIKey is KXDMNODQIFPRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Br/c1-12-14(10-5-11-17(12)18)16-9-3-2-8-15(16)13-6-4-7-13/h2-3,5,8-11,13H,4,6-7H2,1H3.
What are the key properties of 1-bromo-3-(2-cyclobutylphenyl)-2-methylbenzene?
1-bromo-3-(2-cyclobutylphenyl)-2-methylbenzene has a molecular weight of 301.23 g/mol, XLogP of 5.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(2-cyclobutylphenyl)-2-methylbenzene is sourced from PubChem (CID 144658616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).