cis-(1R,3S)-3-(1H-indazol-5-yloxy)cyclohexan-1-ol

C13H16N2O2 — CID 97056382

IUPACcis-(1R,3S)-3-(1H-indazol-5-yloxy)cyclohexan-1-ol
SMILESO[C@@H]1CCC[C@H](Oc2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C13H16N2O2/c16-10-2-1-3-11(7-10)17-12-4-5-13-9(6-12)8-14-15-13/h4-6,8,10-11,16H,1-3,7H2,(H,14,15)/t10-,11+/m1/s1
InChIKeyDVFXNPCOKKRVMJ-MNOVXSKESA-N
MW232.28 g/mol
LogP2.25
Rot. Bonds2

About cis-(1R,3S)-3-(1H-indazol-5-yloxy)cyclohexan-1-ol

cis-(1R,3S)-3-(1H-indazol-5-yloxy)cyclohexan-1-ol (PubChem CID 97056382) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is cis-(1R,3S)-3-(1H-indazol-5-yloxy)cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,3S)-3-(1H-indazol-5-yloxy)cyclohexan-1-ol
PubChem CID97056382
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Namecis-(1R,3S)-3-(1H-indazol-5-yloxy)cyclohexan-1-ol
SMILESO[C@@H]1CCC[C@H](Oc2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C13H16N2O2/c16-10-2-1-3-11(7-10)17-12-4-5-13-9(6-12)8-14-15-13/h4-6,8,10-11,16H,1-3,7H2,(H,14,15)/t10-,11+/m1/s1
InChIKeyDVFXNPCOKKRVMJ-MNOVXSKESA-N
XLogP2.25
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(1H-indazol-5-yloxy)cyclohexan-1-ol?
The IUPAC name of cis-(1R,3S)-3-(1H-indazol-5-yloxy)cyclohexan-1-ol (CID 97056382) is cis-(1R,3S)-3-(1H-indazol-5-yloxy)cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,3S)-3-(1H-indazol-5-yloxy)cyclohexan-1-ol?
The canonical SMILES for cis-(1R,3S)-3-(1H-indazol-5-yloxy)cyclohexan-1-ol is O[C@@H]1CCC[C@H](Oc2ccc3[nH]ncc3c2)C1.
What is the InChIKey of cis-(1R,3S)-3-(1H-indazol-5-yloxy)cyclohexan-1-ol?
The InChIKey is DVFXNPCOKKRVMJ-MNOVXSKESA-N. The full InChI is InChI=1S/C13H16N2O2/c16-10-2-1-3-11(7-10)17-12-4-5-13-9(6-12)8-14-15-13/h4-6,8,10-11,16H,1-3,7H2,(H,14,15)/t10-,11+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(1H-indazol-5-yloxy)cyclohexan-1-ol?
cis-(1R,3S)-3-(1H-indazol-5-yloxy)cyclohexan-1-ol has a molecular weight of 232.28 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(1H-indazol-5-yloxy)cyclohexan-1-ol is sourced from PubChem (CID 97056382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).