1-[(1-ethylindazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-ol

C18H26N2O — CID 79841973

IUPAC1-[(1-ethylindazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-ol
SMILESCCn1nc(CC2(O)CCCCC2(C)C)c2ccccc21
InChIInChI=1S/C18H26N2O/c1-4-20-16-10-6-5-9-14(16)15(19-20)13-18(21)12-8-7-11-17(18,2)3/h5-6,9-10,21H,4,7-8,11-13H2,1-3H3
InChIKeyKTKSOCRYHRWFAQ-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.93
Rot. Bonds3

About 1-[(1-ethylindazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-ol

1-[(1-ethylindazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-ol (PubChem CID 79841973) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[(1-ethylindazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1-ethylindazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-ol
PubChem CID79841973
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-[(1-ethylindazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-ol
SMILESCCn1nc(CC2(O)CCCCC2(C)C)c2ccccc21
InChIInChI=1S/C18H26N2O/c1-4-20-16-10-6-5-9-14(16)15(19-20)13-18(21)12-8-7-11-17(18,2)3/h5-6,9-10,21H,4,7-8,11-13H2,1-3H3
InChIKeyKTKSOCRYHRWFAQ-UHFFFAOYSA-N
XLogP3.93
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylindazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[(1-ethylindazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-ol (CID 79841973) is 1-[(1-ethylindazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(1-ethylindazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[(1-ethylindazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-ol is CCn1nc(CC2(O)CCCCC2(C)C)c2ccccc21.
What is the InChIKey of 1-[(1-ethylindazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-ol?
The InChIKey is KTKSOCRYHRWFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-4-20-16-10-6-5-9-14(16)15(19-20)13-18(21)12-8-7-11-17(18,2)3/h5-6,9-10,21H,4,7-8,11-13H2,1-3H3.
What are the key properties of 1-[(1-ethylindazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-ol?
1-[(1-ethylindazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-ol has a molecular weight of 286.42 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylindazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79841973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).