1-(1-bromo-3-cyclohexylpropyl)-4-(2-methylbutan-2-yl)benzene

C20H31Br — CID 66258438

IUPAC1-(1-bromo-3-cyclohexylpropyl)-4-(2-methylbutan-2-yl)benzene
SMILESCCC(C)(C)c1ccc(C(Br)CCC2CCCCC2)cc1
InChIInChI=1S/C20H31Br/c1-4-20(2,3)18-13-11-17(12-14-18)19(21)15-10-16-8-6-5-7-9-16/h11-14,16,19H,4-10,15H2,1-3H3
InChIKeyNFJNJYRWVSVHJW-UHFFFAOYSA-N
MW351.37 g/mol
LogP7.17
Rot. Bonds6

About 1-(1-bromo-3-cyclohexylpropyl)-4-(2-methylbutan-2-yl)benzene

1-(1-bromo-3-cyclohexylpropyl)-4-(2-methylbutan-2-yl)benzene (PubChem CID 66258438) has the molecular formula C20H31Br and a molecular weight of 351.37 g/mol. Its IUPAC name is 1-(1-bromo-3-cyclohexylpropyl)-4-(2-methylbutan-2-yl)benzene.

Molecular Properties

Compound Name1-(1-bromo-3-cyclohexylpropyl)-4-(2-methylbutan-2-yl)benzene
PubChem CID66258438
Molecular FormulaC20H31Br
Molecular Weight351.37 g/mol
Exact Mass350.16
IUPAC Name1-(1-bromo-3-cyclohexylpropyl)-4-(2-methylbutan-2-yl)benzene
SMILESCCC(C)(C)c1ccc(C(Br)CCC2CCCCC2)cc1
InChIInChI=1S/C20H31Br/c1-4-20(2,3)18-13-11-17(12-14-18)19(21)15-10-16-8-6-5-7-9-16/h11-14,16,19H,4-10,15H2,1-3H3
InChIKeyNFJNJYRWVSVHJW-UHFFFAOYSA-N
XLogP7.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.37
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[2-bromo-2-(4-tert-butylphenyl)ethyl]cycloheptane
CID 114458720
1-[bromo(cyclobutyl)methyl]-4-(2-methylbutan-2-yl)benzene
CID 66257463
1-(1-bromo-3-methylbutyl)-4-(2-methylbutan-2-yl)benzene
CID 66260360
2-[3-bromo-3-(4-tert-butylphenyl)propyl]oxane
CID 63952188
5-(1-bromo-3-cyclopentylpropyl)-1,3-dimethylbenzimidazol-2-one
CID 63444229
1-(4-tert-butylphenyl)-3-cyclopentylpropan-1-amine
CID 43110325
[1-(4-tert-butylphenyl)-3-cyclohexylpropyl]hydrazine
CID 105300386
(1-bromo-3-cyclopropylpropyl)benzene
CID 64508118
2-[3-bromo-3-(4-tert-butylphenyl)propyl]oxolane
CID 65158117
3-[bromo-[4-(2-methylbutan-2-yl)phenyl]methyl]oxane
CID 66258827
1-(1-chloro-2-cyclopropylpropyl)-4-(2-methylbutan-2-yl)benzene
CID 83149462
1-(1-bromo-3-cyclohexylpropyl)-2,3,4,5,6-pentamethylbenzene
CID 63437996

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-3-cyclohexylpropyl)-4-(2-methylbutan-2-yl)benzene?
The IUPAC name of 1-(1-bromo-3-cyclohexylpropyl)-4-(2-methylbutan-2-yl)benzene (CID 66258438) is 1-(1-bromo-3-cyclohexylpropyl)-4-(2-methylbutan-2-yl)benzene.
What is the SMILES notation for 1-(1-bromo-3-cyclohexylpropyl)-4-(2-methylbutan-2-yl)benzene?
The canonical SMILES for 1-(1-bromo-3-cyclohexylpropyl)-4-(2-methylbutan-2-yl)benzene is CCC(C)(C)c1ccc(C(Br)CCC2CCCCC2)cc1.
What is the InChIKey of 1-(1-bromo-3-cyclohexylpropyl)-4-(2-methylbutan-2-yl)benzene?
The InChIKey is NFJNJYRWVSVHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31Br/c1-4-20(2,3)18-13-11-17(12-14-18)19(21)15-10-16-8-6-5-7-9-16/h11-14,16,19H,4-10,15H2,1-3H3.
What are the key properties of 1-(1-bromo-3-cyclohexylpropyl)-4-(2-methylbutan-2-yl)benzene?
1-(1-bromo-3-cyclohexylpropyl)-4-(2-methylbutan-2-yl)benzene has a molecular weight of 351.37 g/mol, XLogP of 7.17, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-3-cyclohexylpropyl)-4-(2-methylbutan-2-yl)benzene is sourced from PubChem (CID 66258438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).