4-(6-hydroxy-1-propylindazol-3-yl)benzene-1,3-diol

C16H16N2O3 — CID 135511863

IUPAC4-(6-hydroxy-1-propylindazol-3-yl)benzene-1,3-diol
SMILESCCCn1nc(-c2ccc(O)cc2O)c2ccc(O)cc21
InChIInChI=1S/C16H16N2O3/c1-2-7-18-14-8-10(19)3-5-12(14)16(17-18)13-6-4-11(20)9-15(13)21/h3-6,8-9,19-21H,2,7H2,1H3
InChIKeyRJVVTFTZYVECEF-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.23
Rot. Bonds3

About 4-(6-hydroxy-1-propylindazol-3-yl)benzene-1,3-diol

4-(6-hydroxy-1-propylindazol-3-yl)benzene-1,3-diol (PubChem CID 135511863) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 4-(6-hydroxy-1-propylindazol-3-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(6-hydroxy-1-propylindazol-3-yl)benzene-1,3-diol
PubChem CID135511863
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name4-(6-hydroxy-1-propylindazol-3-yl)benzene-1,3-diol
SMILESCCCn1nc(-c2ccc(O)cc2O)c2ccc(O)cc21
InChIInChI=1S/C16H16N2O3/c1-2-7-18-14-8-10(19)3-5-12(14)16(17-18)13-6-4-11(20)9-15(13)21/h3-6,8-9,19-21H,2,7H2,1H3
InChIKeyRJVVTFTZYVECEF-UHFFFAOYSA-N
XLogP3.23
TPSA78.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-hydroxy-1-propylindazol-3-yl)benzene-1,3-diol?
The IUPAC name of 4-(6-hydroxy-1-propylindazol-3-yl)benzene-1,3-diol (CID 135511863) is 4-(6-hydroxy-1-propylindazol-3-yl)benzene-1,3-diol.
What is the SMILES notation for 4-(6-hydroxy-1-propylindazol-3-yl)benzene-1,3-diol?
The canonical SMILES for 4-(6-hydroxy-1-propylindazol-3-yl)benzene-1,3-diol is CCCn1nc(-c2ccc(O)cc2O)c2ccc(O)cc21.
What is the InChIKey of 4-(6-hydroxy-1-propylindazol-3-yl)benzene-1,3-diol?
The InChIKey is RJVVTFTZYVECEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-2-7-18-14-8-10(19)3-5-12(14)16(17-18)13-6-4-11(20)9-15(13)21/h3-6,8-9,19-21H,2,7H2,1H3.
What are the key properties of 4-(6-hydroxy-1-propylindazol-3-yl)benzene-1,3-diol?
4-(6-hydroxy-1-propylindazol-3-yl)benzene-1,3-diol has a molecular weight of 284.31 g/mol, XLogP of 3.23, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-hydroxy-1-propylindazol-3-yl)benzene-1,3-diol is sourced from PubChem (CID 135511863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).