4-(1-propan-2-ylindazol-5-yl)oxyphenol

C16H16N2O2 — CID 22349445

IUPAC4-(1-propan-2-ylindazol-5-yl)oxyphenol
SMILESCC(C)n1ncc2cc(Oc3ccc(O)cc3)ccc21
InChIInChI=1S/C16H16N2O2/c1-11(2)18-16-8-7-15(9-12(16)10-17-18)20-14-5-3-13(19)4-6-14/h3-11,19H,1-2H3
InChIKeyNDPVCNCOSOLXGI-UHFFFAOYSA-N
MW268.32 g/mol
LogP4.12
Rot. Bonds3

About 4-(1-propan-2-ylindazol-5-yl)oxyphenol

4-(1-propan-2-ylindazol-5-yl)oxyphenol (PubChem CID 22349445) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-(1-propan-2-ylindazol-5-yl)oxyphenol.

Molecular Properties

Compound Name4-(1-propan-2-ylindazol-5-yl)oxyphenol
PubChem CID22349445
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name4-(1-propan-2-ylindazol-5-yl)oxyphenol
SMILESCC(C)n1ncc2cc(Oc3ccc(O)cc3)ccc21
InChIInChI=1S/C16H16N2O2/c1-11(2)18-16-8-7-15(9-12(16)10-17-18)20-14-5-3-13(19)4-6-14/h3-11,19H,1-2H3
InChIKeyNDPVCNCOSOLXGI-UHFFFAOYSA-N
XLogP4.12
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-propan-2-ylindazol-5-yl)oxyphenol?
The IUPAC name of 4-(1-propan-2-ylindazol-5-yl)oxyphenol (CID 22349445) is 4-(1-propan-2-ylindazol-5-yl)oxyphenol.
What is the SMILES notation for 4-(1-propan-2-ylindazol-5-yl)oxyphenol?
The canonical SMILES for 4-(1-propan-2-ylindazol-5-yl)oxyphenol is CC(C)n1ncc2cc(Oc3ccc(O)cc3)ccc21.
What is the InChIKey of 4-(1-propan-2-ylindazol-5-yl)oxyphenol?
The InChIKey is NDPVCNCOSOLXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-11(2)18-16-8-7-15(9-12(16)10-17-18)20-14-5-3-13(19)4-6-14/h3-11,19H,1-2H3.
What are the key properties of 4-(1-propan-2-ylindazol-5-yl)oxyphenol?
4-(1-propan-2-ylindazol-5-yl)oxyphenol has a molecular weight of 268.32 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propan-2-ylindazol-5-yl)oxyphenol is sourced from PubChem (CID 22349445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).