[1-(4-bromobutyl)cyclohexyl]methanol

C11H21BrO — CID 102392582

IUPAC[1-(4-bromobutyl)cyclohexyl]methanol
SMILESOCC1(CCCCBr)CCCCC1
InChIInChI=1S/C11H21BrO/c12-9-5-4-8-11(10-13)6-2-1-3-7-11/h13H,1-10H2
InChIKeyVCRSLFJHYNSZNU-UHFFFAOYSA-N
MW249.19 g/mol
LogP3.49
Rot. Bonds5

About [1-(4-bromobutyl)cyclohexyl]methanol

[1-(4-bromobutyl)cyclohexyl]methanol (PubChem CID 102392582) has the molecular formula C11H21BrO and a molecular weight of 249.19 g/mol. Its IUPAC name is [1-(4-bromobutyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(4-bromobutyl)cyclohexyl]methanol
PubChem CID102392582
Molecular FormulaC11H21BrO
Molecular Weight249.19 g/mol
Exact Mass248.08
IUPAC Name[1-(4-bromobutyl)cyclohexyl]methanol
SMILESOCC1(CCCCBr)CCCCC1
InChIInChI=1S/C11H21BrO/c12-9-5-4-8-11(10-13)6-2-1-3-7-11/h13H,1-10H2
InChIKeyVCRSLFJHYNSZNU-UHFFFAOYSA-N
XLogP3.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 53.49
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of [1-(4-bromobutyl)cyclohexyl]methanol?
The IUPAC name of [1-(4-bromobutyl)cyclohexyl]methanol (CID 102392582) is [1-(4-bromobutyl)cyclohexyl]methanol.
What is the SMILES notation for [1-(4-bromobutyl)cyclohexyl]methanol?
The canonical SMILES for [1-(4-bromobutyl)cyclohexyl]methanol is OCC1(CCCCBr)CCCCC1.
What is the InChIKey of [1-(4-bromobutyl)cyclohexyl]methanol?
The InChIKey is VCRSLFJHYNSZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrO/c12-9-5-4-8-11(10-13)6-2-1-3-7-11/h13H,1-10H2.
What are the key properties of [1-(4-bromobutyl)cyclohexyl]methanol?
[1-(4-bromobutyl)cyclohexyl]methanol has a molecular weight of 249.19 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromobutyl)cyclohexyl]methanol is sourced from PubChem (CID 102392582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).