[3-(3-chlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol

C12H14ClNO — CID 115009503

IUPAC[3-(3-chlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESOCC1C2CN(c3cccc(Cl)c3)CC12
InChIInChI=1S/C12H14ClNO/c13-8-2-1-3-9(4-8)14-5-10-11(6-14)12(10)7-15/h1-4,10-12,15H,5-7H2
InChIKeyBEFFAJXIEOCMNJ-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.01
Rot. Bonds2

About [3-(3-chlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol

[3-(3-chlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol (PubChem CID 115009503) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is [3-(3-chlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol.

Molecular Properties

Compound Name[3-(3-chlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
PubChem CID115009503
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name[3-(3-chlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESOCC1C2CN(c3cccc(Cl)c3)CC12
InChIInChI=1S/C12H14ClNO/c13-8-2-1-3-9(4-8)14-5-10-11(6-14)12(10)7-15/h1-4,10-12,15H,5-7H2
InChIKeyBEFFAJXIEOCMNJ-UHFFFAOYSA-N
XLogP2.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(3-chlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The IUPAC name of [3-(3-chlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol (CID 115009503) is [3-(3-chlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol.
What is the SMILES notation for [3-(3-chlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The canonical SMILES for [3-(3-chlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol is OCC1C2CN(c3cccc(Cl)c3)CC12.
What is the InChIKey of [3-(3-chlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The InChIKey is BEFFAJXIEOCMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c13-8-2-1-3-9(4-8)14-5-10-11(6-14)12(10)7-15/h1-4,10-12,15H,5-7H2.
What are the key properties of [3-(3-chlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
[3-(3-chlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol has a molecular weight of 223.70 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol is sourced from PubChem (CID 115009503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).