tert-butyl formate;3-phenyl-1H-indazol-6-ol

C18H20N2O3 — CID 174616120

IUPACtert-butyl formate;3-phenyl-1H-indazol-6-ol
SMILESCC(C)(C)OC=O.Oc1ccc2c(-c3ccccc3)n[nH]c2c1
InChIInChI=1S/C13H10N2O.C5H10O2/c16-10-6-7-11-12(8-10)14-15-13(11)9-4-2-1-3-5-9;1-5(2,3)7-4-6/h1-8,16H,(H,14,15);4H,1-3H3
InChIKeyDZPNEESUSQWRCP-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.89
Rot. Bonds2

About tert-butyl formate;3-phenyl-1H-indazol-6-ol

tert-butyl formate;3-phenyl-1H-indazol-6-ol (PubChem CID 174616120) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is tert-butyl formate;3-phenyl-1H-indazol-6-ol.

Molecular Properties

Compound Nametert-butyl formate;3-phenyl-1H-indazol-6-ol
PubChem CID174616120
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Nametert-butyl formate;3-phenyl-1H-indazol-6-ol
SMILESCC(C)(C)OC=O.Oc1ccc2c(-c3ccccc3)n[nH]c2c1
InChIInChI=1S/C13H10N2O.C5H10O2/c16-10-6-7-11-12(8-10)14-15-13(11)9-4-2-1-3-5-9;1-5(2,3)7-4-6/h1-8,16H,(H,14,15);4H,1-3H3
InChIKeyDZPNEESUSQWRCP-UHFFFAOYSA-N
XLogP3.89
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

CID 135566322
CID 135566322
CID 135566717
CID 135566717
CID 166632081
CID 166632081
CID 9855970
CID 9855970
CID 21877423
CID 21877423
CID 135839305
CID 135839305
CID 136406042
CID 136406042
CID 135566718
CID 135566718
CID 137646758
CID 137646758
CID 166627727
CID 166627727
CID 166631118
CID 166631118
CID 67059778
CID 67059778

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;3-phenyl-1H-indazol-6-ol?
The IUPAC name of tert-butyl formate;3-phenyl-1H-indazol-6-ol (CID 174616120) is tert-butyl formate;3-phenyl-1H-indazol-6-ol.
What is the SMILES notation for tert-butyl formate;3-phenyl-1H-indazol-6-ol?
The canonical SMILES for tert-butyl formate;3-phenyl-1H-indazol-6-ol is CC(C)(C)OC=O.Oc1ccc2c(-c3ccccc3)n[nH]c2c1.
What is the InChIKey of tert-butyl formate;3-phenyl-1H-indazol-6-ol?
The InChIKey is DZPNEESUSQWRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O.C5H10O2/c16-10-6-7-11-12(8-10)14-15-13(11)9-4-2-1-3-5-9;1-5(2,3)7-4-6/h1-8,16H,(H,14,15);4H,1-3H3.
What are the key properties of tert-butyl formate;3-phenyl-1H-indazol-6-ol?
tert-butyl formate;3-phenyl-1H-indazol-6-ol has a molecular weight of 312.37 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;3-phenyl-1H-indazol-6-ol is sourced from PubChem (CID 174616120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).