1-bromo-2-(4-pentylcyclohexyl)benzene

C17H25Br — CID 68659349

IUPAC1-bromo-2-(4-pentylcyclohexyl)benzene
SMILESCCCCCC1CCC(c2ccccc2Br)CC1
InChIInChI=1S/C17H25Br/c1-2-3-4-7-14-10-12-15(13-11-14)16-8-5-6-9-17(16)18/h5-6,8-9,14-15H,2-4,7,10-13H2,1H3
InChIKeyAIDNYSJHSFHKPM-UHFFFAOYSA-N
MW309.29 g/mol
LogP6.30
Rot. Bonds5

About 1-bromo-2-(4-pentylcyclohexyl)benzene

1-bromo-2-(4-pentylcyclohexyl)benzene (PubChem CID 68659349) has the molecular formula C17H25Br and a molecular weight of 309.29 g/mol. Its IUPAC name is 1-bromo-2-(4-pentylcyclohexyl)benzene.

Molecular Properties

Compound Name1-bromo-2-(4-pentylcyclohexyl)benzene
PubChem CID68659349
Molecular FormulaC17H25Br
Molecular Weight309.29 g/mol
Exact Mass308.11
IUPAC Name1-bromo-2-(4-pentylcyclohexyl)benzene
SMILESCCCCCC1CCC(c2ccccc2Br)CC1
InChIInChI=1S/C17H25Br/c1-2-3-4-7-14-10-12-15(13-11-14)16-8-5-6-9-17(16)18/h5-6,8-9,14-15H,2-4,7,10-13H2,1H3
InChIKeyAIDNYSJHSFHKPM-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.29
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(4-pentylcyclohexyl)-2-(4-propylcyclohexyl)benzene
CID 173398550
1-chloro-2-[4-(4-tetradecylcyclohexyl)cyclohexyl]benzene
CID 139911130
2-bromo-6-(4-propylcyclohexyl)phenol
CID 162716944
1-ethyl-4-[2-(4-pentylcyclohexyl)phenyl]benzene
CID 154421706
2-(4-pentylcyclohexyl)bicyclo[3.1.0]hexa-1,3,5-triene
CID 174774005
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-bromo-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15135338
2-(2-fluorophenyl)-6-(4-pentylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837197
hexane;pentylcyclopropane
CID 159592467
1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene
CID 20538217
2-(4-pentylcyclohexyl)benzoic acid;1-phenylethane-1,1-diol
CID 175156296
2,6-difluoro-3-[2-[2-(4-pentylcyclohexyl)phenyl]ethyl]pyridine
CID 67924020

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(4-pentylcyclohexyl)benzene?
The IUPAC name of 1-bromo-2-(4-pentylcyclohexyl)benzene (CID 68659349) is 1-bromo-2-(4-pentylcyclohexyl)benzene.
What is the SMILES notation for 1-bromo-2-(4-pentylcyclohexyl)benzene?
The canonical SMILES for 1-bromo-2-(4-pentylcyclohexyl)benzene is CCCCCC1CCC(c2ccccc2Br)CC1.
What is the InChIKey of 1-bromo-2-(4-pentylcyclohexyl)benzene?
The InChIKey is AIDNYSJHSFHKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Br/c1-2-3-4-7-14-10-12-15(13-11-14)16-8-5-6-9-17(16)18/h5-6,8-9,14-15H,2-4,7,10-13H2,1H3.
What are the key properties of 1-bromo-2-(4-pentylcyclohexyl)benzene?
1-bromo-2-(4-pentylcyclohexyl)benzene has a molecular weight of 309.29 g/mol, XLogP of 6.30, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(4-pentylcyclohexyl)benzene is sourced from PubChem (CID 68659349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).