8-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol

C13H14N2O — CID 112709300

IUPAC8-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1CCCc2cccc(-n3ccnc3)c21
InChIInChI=1S/C13H14N2O/c16-12-6-2-4-10-3-1-5-11(13(10)12)15-8-7-14-9-15/h1,3,5,7-9,12,16H,2,4,6H2
InChIKeyRZJNGDHTGPEBHM-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.24
Rot. Bonds1

About 8-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol

8-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 112709300) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 8-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name8-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID112709300
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name8-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1CCCc2cccc(-n3ccnc3)c21
InChIInChI=1S/C13H14N2O/c16-12-6-2-4-10-3-1-5-11(13(10)12)15-8-7-14-9-15/h1,3,5,7-9,12,16H,2,4,6H2
InChIKeyRZJNGDHTGPEBHM-UHFFFAOYSA-N
XLogP2.24
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 8-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol (CID 112709300) is 8-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 8-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 8-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol is OC1CCCc2cccc(-n3ccnc3)c21.
What is the InChIKey of 8-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is RZJNGDHTGPEBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c16-12-6-2-4-10-3-1-5-11(13(10)12)15-8-7-14-9-15/h1,3,5,7-9,12,16H,2,4,6H2.
What are the key properties of 8-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol?
8-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 214.27 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 112709300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).