4-bromo-2,6-dichlorocyclohexan-1-ol

C6H9BrCl2O — CID 44558065

IUPAC4-bromo-2,6-dichlorocyclohexan-1-ol
SMILESOC1C(Cl)CC(Br)CC1Cl
InChIInChI=1S/C6H9BrCl2O/c7-3-1-4(8)6(10)5(9)2-3/h3-6,10H,1-2H2
InChIKeyZANIFLJPFADINN-UHFFFAOYSA-N
MW247.95 g/mol
LogP2.12
Rot. Bonds

About 4-bromo-2,6-dichlorocyclohexan-1-ol

4-bromo-2,6-dichlorocyclohexan-1-ol (PubChem CID 44558065) has the molecular formula C6H9BrCl2O and a molecular weight of 247.95 g/mol. Its IUPAC name is 4-bromo-2,6-dichlorocyclohexan-1-ol.

Molecular Properties

Compound Name4-bromo-2,6-dichlorocyclohexan-1-ol
PubChem CID44558065
Molecular FormulaC6H9BrCl2O
Molecular Weight247.95 g/mol
Exact Mass245.92
IUPAC Name4-bromo-2,6-dichlorocyclohexan-1-ol
SMILESOC1C(Cl)CC(Br)CC1Cl
InChIInChI=1S/C6H9BrCl2O/c7-3-1-4(8)6(10)5(9)2-3/h3-6,10H,1-2H2
InChIKeyZANIFLJPFADINN-UHFFFAOYSA-N
XLogP2.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.95
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichlorocyclohexan-1-ol?
The IUPAC name of 4-bromo-2,6-dichlorocyclohexan-1-ol (CID 44558065) is 4-bromo-2,6-dichlorocyclohexan-1-ol.
What is the SMILES notation for 4-bromo-2,6-dichlorocyclohexan-1-ol?
The canonical SMILES for 4-bromo-2,6-dichlorocyclohexan-1-ol is OC1C(Cl)CC(Br)CC1Cl.
What is the InChIKey of 4-bromo-2,6-dichlorocyclohexan-1-ol?
The InChIKey is ZANIFLJPFADINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrCl2O/c7-3-1-4(8)6(10)5(9)2-3/h3-6,10H,1-2H2.
What are the key properties of 4-bromo-2,6-dichlorocyclohexan-1-ol?
4-bromo-2,6-dichlorocyclohexan-1-ol has a molecular weight of 247.95 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichlorocyclohexan-1-ol is sourced from PubChem (CID 44558065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).