2-(4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-yl)phenol

C17H22N2O — CID 135423685

IUPAC2-(4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-yl)phenol
SMILESCC1CCC(C(C)C)c2[nH]nc(-c3ccccc3O)c21
InChIInChI=1S/C17H22N2O/c1-10(2)12-9-8-11(3)15-16(12)18-19-17(15)13-6-4-5-7-14(13)20/h4-7,10-12,20H,8-9H2,1-3H3,(H,18,19)
InChIKeyATCWXXQVMNFGJE-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.42
Rot. Bonds2

About 2-(4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-yl)phenol

2-(4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-yl)phenol (PubChem CID 135423685) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-yl)phenol.

Molecular Properties

Compound Name2-(4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-yl)phenol
PubChem CID135423685
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-(4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-yl)phenol
SMILESCC1CCC(C(C)C)c2[nH]nc(-c3ccccc3O)c21
InChIInChI=1S/C17H22N2O/c1-10(2)12-9-8-11(3)15-16(12)18-19-17(15)13-6-4-5-7-14(13)20/h4-7,10-12,20H,8-9H2,1-3H3,(H,18,19)
InChIKeyATCWXXQVMNFGJE-UHFFFAOYSA-N
XLogP4.42
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-yl)phenol?
The IUPAC name of 2-(4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-yl)phenol (CID 135423685) is 2-(4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-yl)phenol.
What is the SMILES notation for 2-(4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-yl)phenol?
The canonical SMILES for 2-(4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-yl)phenol is CC1CCC(C(C)C)c2[nH]nc(-c3ccccc3O)c21.
What is the InChIKey of 2-(4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-yl)phenol?
The InChIKey is ATCWXXQVMNFGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-10(2)12-9-8-11(3)15-16(12)18-19-17(15)13-6-4-5-7-14(13)20/h4-7,10-12,20H,8-9H2,1-3H3,(H,18,19).
What are the key properties of 2-(4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-yl)phenol?
2-(4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-yl)phenol has a molecular weight of 270.38 g/mol, XLogP of 4.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-yl)phenol is sourced from PubChem (CID 135423685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).