4-(1-butyl-6-hydroxyindazol-3-yl)benzene-1,3-diol

C17H18N2O3 — CID 135524510

IUPAC4-(1-butyl-6-hydroxyindazol-3-yl)benzene-1,3-diol
SMILESCCCCn1nc(-c2ccc(O)cc2O)c2ccc(O)cc21
InChIInChI=1S/C17H18N2O3/c1-2-3-8-19-15-9-11(20)4-6-13(15)17(18-19)14-7-5-12(21)10-16(14)22/h4-7,9-10,20-22H,2-3,8H2,1H3
InChIKeyHGZSLWUFOGHPTM-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.62
Rot. Bonds4

About 4-(1-butyl-6-hydroxyindazol-3-yl)benzene-1,3-diol

4-(1-butyl-6-hydroxyindazol-3-yl)benzene-1,3-diol (PubChem CID 135524510) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 4-(1-butyl-6-hydroxyindazol-3-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(1-butyl-6-hydroxyindazol-3-yl)benzene-1,3-diol
PubChem CID135524510
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name4-(1-butyl-6-hydroxyindazol-3-yl)benzene-1,3-diol
SMILESCCCCn1nc(-c2ccc(O)cc2O)c2ccc(O)cc21
InChIInChI=1S/C17H18N2O3/c1-2-3-8-19-15-9-11(20)4-6-13(15)17(18-19)14-7-5-12(21)10-16(14)22/h4-7,9-10,20-22H,2-3,8H2,1H3
InChIKeyHGZSLWUFOGHPTM-UHFFFAOYSA-N
XLogP3.62
TPSA78.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-butyl-6-hydroxyindazol-3-yl)benzene-1,3-diol?
The IUPAC name of 4-(1-butyl-6-hydroxyindazol-3-yl)benzene-1,3-diol (CID 135524510) is 4-(1-butyl-6-hydroxyindazol-3-yl)benzene-1,3-diol.
What is the SMILES notation for 4-(1-butyl-6-hydroxyindazol-3-yl)benzene-1,3-diol?
The canonical SMILES for 4-(1-butyl-6-hydroxyindazol-3-yl)benzene-1,3-diol is CCCCn1nc(-c2ccc(O)cc2O)c2ccc(O)cc21.
What is the InChIKey of 4-(1-butyl-6-hydroxyindazol-3-yl)benzene-1,3-diol?
The InChIKey is HGZSLWUFOGHPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-2-3-8-19-15-9-11(20)4-6-13(15)17(18-19)14-7-5-12(21)10-16(14)22/h4-7,9-10,20-22H,2-3,8H2,1H3.
What are the key properties of 4-(1-butyl-6-hydroxyindazol-3-yl)benzene-1,3-diol?
4-(1-butyl-6-hydroxyindazol-3-yl)benzene-1,3-diol has a molecular weight of 298.34 g/mol, XLogP of 3.62, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-butyl-6-hydroxyindazol-3-yl)benzene-1,3-diol is sourced from PubChem (CID 135524510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).