2-(4-hydroxyphenyl)-3-prop-2-enylindazol-5-ol

C16H14N2O2 — CID 11346148

IUPAC2-(4-hydroxyphenyl)-3-prop-2-enylindazol-5-ol
SMILESC=CCc1c2cc(O)ccc2nn1-c1ccc(O)cc1
InChIInChI=1S/C16H14N2O2/c1-2-3-16-14-10-13(20)8-9-15(14)17-18(16)11-4-6-12(19)7-5-11/h2,4-10,19-20H,1,3H2
InChIKeyMRQDWXSXVZXABB-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.17
Rot. Bonds3

About 2-(4-hydroxyphenyl)-3-prop-2-enylindazol-5-ol

2-(4-hydroxyphenyl)-3-prop-2-enylindazol-5-ol (PubChem CID 11346148) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-3-prop-2-enylindazol-5-ol.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-3-prop-2-enylindazol-5-ol
PubChem CID11346148
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-(4-hydroxyphenyl)-3-prop-2-enylindazol-5-ol
SMILESC=CCc1c2cc(O)ccc2nn1-c1ccc(O)cc1
InChIInChI=1S/C16H14N2O2/c1-2-3-16-14-10-13(20)8-9-15(14)17-18(16)11-4-6-12(19)7-5-11/h2,4-10,19-20H,1,3H2
InChIKeyMRQDWXSXVZXABB-UHFFFAOYSA-N
XLogP3.17
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-3-prop-2-enylindazol-5-ol?
The IUPAC name of 2-(4-hydroxyphenyl)-3-prop-2-enylindazol-5-ol (CID 11346148) is 2-(4-hydroxyphenyl)-3-prop-2-enylindazol-5-ol.
What is the SMILES notation for 2-(4-hydroxyphenyl)-3-prop-2-enylindazol-5-ol?
The canonical SMILES for 2-(4-hydroxyphenyl)-3-prop-2-enylindazol-5-ol is C=CCc1c2cc(O)ccc2nn1-c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-3-prop-2-enylindazol-5-ol?
The InChIKey is MRQDWXSXVZXABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-2-3-16-14-10-13(20)8-9-15(14)17-18(16)11-4-6-12(19)7-5-11/h2,4-10,19-20H,1,3H2.
What are the key properties of 2-(4-hydroxyphenyl)-3-prop-2-enylindazol-5-ol?
2-(4-hydroxyphenyl)-3-prop-2-enylindazol-5-ol has a molecular weight of 266.30 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-3-prop-2-enylindazol-5-ol is sourced from PubChem (CID 11346148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).