azepan-2-yl-(2-bromo-5-chlorophenyl)methanol

C13H17BrClNO — CID 66157676

IUPACazepan-2-yl-(2-bromo-5-chlorophenyl)methanol
SMILESOC(c1cc(Cl)ccc1Br)C1CCCCCN1
InChIInChI=1S/C13H17BrClNO/c14-11-6-5-9(15)8-10(11)13(17)12-4-2-1-3-7-16-12/h5-6,8,12-13,16-17H,1-4,7H2
InChIKeyIEKYJCGDLXRATN-UHFFFAOYSA-N
MW318.64 g/mol
LogP3.67
Rot. Bonds2

About azepan-2-yl-(2-bromo-5-chlorophenyl)methanol

azepan-2-yl-(2-bromo-5-chlorophenyl)methanol (PubChem CID 66157676) has the molecular formula C13H17BrClNO and a molecular weight of 318.64 g/mol. Its IUPAC name is azepan-2-yl-(2-bromo-5-chlorophenyl)methanol.

Molecular Properties

Compound Nameazepan-2-yl-(2-bromo-5-chlorophenyl)methanol
PubChem CID66157676
Molecular FormulaC13H17BrClNO
Molecular Weight318.64 g/mol
Exact Mass317.02
IUPAC Nameazepan-2-yl-(2-bromo-5-chlorophenyl)methanol
SMILESOC(c1cc(Cl)ccc1Br)C1CCCCCN1
InChIInChI=1S/C13H17BrClNO/c14-11-6-5-9(15)8-10(11)13(17)12-4-2-1-3-7-16-12/h5-6,8,12-13,16-17H,1-4,7H2
InChIKeyIEKYJCGDLXRATN-UHFFFAOYSA-N
XLogP3.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.64
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azepan-2-yl-(2-bromo-5-chlorophenyl)methanol?
The IUPAC name of azepan-2-yl-(2-bromo-5-chlorophenyl)methanol (CID 66157676) is azepan-2-yl-(2-bromo-5-chlorophenyl)methanol.
What is the SMILES notation for azepan-2-yl-(2-bromo-5-chlorophenyl)methanol?
The canonical SMILES for azepan-2-yl-(2-bromo-5-chlorophenyl)methanol is OC(c1cc(Cl)ccc1Br)C1CCCCCN1.
What is the InChIKey of azepan-2-yl-(2-bromo-5-chlorophenyl)methanol?
The InChIKey is IEKYJCGDLXRATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO/c14-11-6-5-9(15)8-10(11)13(17)12-4-2-1-3-7-16-12/h5-6,8,12-13,16-17H,1-4,7H2.
What are the key properties of azepan-2-yl-(2-bromo-5-chlorophenyl)methanol?
azepan-2-yl-(2-bromo-5-chlorophenyl)methanol has a molecular weight of 318.64 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-2-yl-(2-bromo-5-chlorophenyl)methanol is sourced from PubChem (CID 66157676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).