1-(4-bromobutoxy)-2-cyclohexylbenzene

C16H23BrO — CID 12660402

IUPAC1-(4-bromobutoxy)-2-cyclohexylbenzene
SMILESBrCCCCOc1ccccc1C1CCCCC1
InChIInChI=1S/C16H23BrO/c17-12-6-7-13-18-16-11-5-4-10-15(16)14-8-2-1-3-9-14/h4-5,10-11,14H,1-3,6-9,12-13H2
InChIKeyYLEAKZGHWWELEV-UHFFFAOYSA-N
MW311.26 g/mol
LogP5.29
Rot. Bonds6

About 1-(4-bromobutoxy)-2-cyclohexylbenzene

1-(4-bromobutoxy)-2-cyclohexylbenzene (PubChem CID 12660402) has the molecular formula C16H23BrO and a molecular weight of 311.26 g/mol. Its IUPAC name is 1-(4-bromobutoxy)-2-cyclohexylbenzene.

Molecular Properties

Compound Name1-(4-bromobutoxy)-2-cyclohexylbenzene
PubChem CID12660402
Molecular FormulaC16H23BrO
Molecular Weight311.26 g/mol
Exact Mass310.09
IUPAC Name1-(4-bromobutoxy)-2-cyclohexylbenzene
SMILESBrCCCCOc1ccccc1C1CCCCC1
InChIInChI=1S/C16H23BrO/c17-12-6-7-13-18-16-11-5-4-10-15(16)14-8-2-1-3-9-14/h4-5,10-11,14H,1-3,6-9,12-13H2
InChIKeyYLEAKZGHWWELEV-UHFFFAOYSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.26
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyclohexylphenoxy)ethanamine
CID 115031579
1-(bromomethoxy)-2-cyclopropylbenzene
CID 174624638
1-cyclobutyl-2-(3,3-dimethylbutoxy)benzene
CID 70807939
5-[3-(2-cyclohexylphenoxy)propyl]-1H-imidazole
CID 173323765
1-bromo-3-(2-propoxyphenyl)cycloheptane
CID 104662860
1-bromo-3-[2-(2-methoxyethoxy)phenyl]cycloheptane
CID 113438552
bis(2-cyclohexylphenyl) nonanedioate
CID 144725019
2-[2-(2-cyclohexylphenoxy)ethyl]-5-methyl-4,5-dihydro-1H-imidazole;hydrochloride
CID 138401650
1-chloro-3-(2-cyclohexylphenoxy)propan-2-ol
CID 131857261
(2-phenoxyphenyl)cycloheptane
CID 56995549
2-(5-bromopentoxy)phenol
CID 13197601
(2-cyclohexylphenyl) pentyl carbonate
CID 154072254

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobutoxy)-2-cyclohexylbenzene?
The IUPAC name of 1-(4-bromobutoxy)-2-cyclohexylbenzene (CID 12660402) is 1-(4-bromobutoxy)-2-cyclohexylbenzene.
What is the SMILES notation for 1-(4-bromobutoxy)-2-cyclohexylbenzene?
The canonical SMILES for 1-(4-bromobutoxy)-2-cyclohexylbenzene is BrCCCCOc1ccccc1C1CCCCC1.
What is the InChIKey of 1-(4-bromobutoxy)-2-cyclohexylbenzene?
The InChIKey is YLEAKZGHWWELEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrO/c17-12-6-7-13-18-16-11-5-4-10-15(16)14-8-2-1-3-9-14/h4-5,10-11,14H,1-3,6-9,12-13H2.
What are the key properties of 1-(4-bromobutoxy)-2-cyclohexylbenzene?
1-(4-bromobutoxy)-2-cyclohexylbenzene has a molecular weight of 311.26 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobutoxy)-2-cyclohexylbenzene is sourced from PubChem (CID 12660402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).