1-[(5,6-dichlorobenzotriazol-1-yl)methyl]cyclohexan-1-ol

C13H15Cl2N3O — CID 75434033

IUPAC1-[(5,6-dichlorobenzotriazol-1-yl)methyl]cyclohexan-1-ol
SMILESOC1(Cn2nnc3cc(Cl)c(Cl)cc32)CCCCC1
InChIInChI=1S/C13H15Cl2N3O/c14-9-6-11-12(7-10(9)15)18(17-16-11)8-13(19)4-2-1-3-5-13/h6-7,19H,1-5,8H2
InChIKeyKHQMDGKTFNJDLA-UHFFFAOYSA-N
MW300.19 g/mol
LogP3.43
Rot. Bonds2

About 1-[(5,6-dichlorobenzotriazol-1-yl)methyl]cyclohexan-1-ol

1-[(5,6-dichlorobenzotriazol-1-yl)methyl]cyclohexan-1-ol (PubChem CID 75434033) has the molecular formula C13H15Cl2N3O and a molecular weight of 300.19 g/mol. Its IUPAC name is 1-[(5,6-dichlorobenzotriazol-1-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(5,6-dichlorobenzotriazol-1-yl)methyl]cyclohexan-1-ol
PubChem CID75434033
Molecular FormulaC13H15Cl2N3O
Molecular Weight300.19 g/mol
Exact Mass299.06
IUPAC Name1-[(5,6-dichlorobenzotriazol-1-yl)methyl]cyclohexan-1-ol
SMILESOC1(Cn2nnc3cc(Cl)c(Cl)cc32)CCCCC1
InChIInChI=1S/C13H15Cl2N3O/c14-9-6-11-12(7-10(9)15)18(17-16-11)8-13(19)4-2-1-3-5-13/h6-7,19H,1-5,8H2
InChIKeyKHQMDGKTFNJDLA-UHFFFAOYSA-N
XLogP3.43
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5,6-dichlorobenzotriazol-1-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(5,6-dichlorobenzotriazol-1-yl)methyl]cyclohexan-1-ol (CID 75434033) is 1-[(5,6-dichlorobenzotriazol-1-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(5,6-dichlorobenzotriazol-1-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(5,6-dichlorobenzotriazol-1-yl)methyl]cyclohexan-1-ol is OC1(Cn2nnc3cc(Cl)c(Cl)cc32)CCCCC1.
What is the InChIKey of 1-[(5,6-dichlorobenzotriazol-1-yl)methyl]cyclohexan-1-ol?
The InChIKey is KHQMDGKTFNJDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O/c14-9-6-11-12(7-10(9)15)18(17-16-11)8-13(19)4-2-1-3-5-13/h6-7,19H,1-5,8H2.
What are the key properties of 1-[(5,6-dichlorobenzotriazol-1-yl)methyl]cyclohexan-1-ol?
1-[(5,6-dichlorobenzotriazol-1-yl)methyl]cyclohexan-1-ol has a molecular weight of 300.19 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,6-dichlorobenzotriazol-1-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 75434033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).