4-(7-methyl-1-propylindazol-3-yl)phenol

C17H18N2O — CID 135511848

IUPAC4-(7-methyl-1-propylindazol-3-yl)phenol
SMILESCCCn1nc(-c2ccc(O)cc2)c2cccc(C)c21
InChIInChI=1S/C17H18N2O/c1-3-11-19-17-12(2)5-4-6-15(17)16(18-19)13-7-9-14(20)10-8-13/h4-10,20H,3,11H2,1-2H3
InChIKeyKGNRBLHSFFCQIN-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.13
Rot. Bonds3

About 4-(7-methyl-1-propylindazol-3-yl)phenol

4-(7-methyl-1-propylindazol-3-yl)phenol (PubChem CID 135511848) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-(7-methyl-1-propylindazol-3-yl)phenol.

Molecular Properties

Compound Name4-(7-methyl-1-propylindazol-3-yl)phenol
PubChem CID135511848
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name4-(7-methyl-1-propylindazol-3-yl)phenol
SMILESCCCn1nc(-c2ccc(O)cc2)c2cccc(C)c21
InChIInChI=1S/C17H18N2O/c1-3-11-19-17-12(2)5-4-6-15(17)16(18-19)13-7-9-14(20)10-8-13/h4-10,20H,3,11H2,1-2H3
InChIKeyKGNRBLHSFFCQIN-UHFFFAOYSA-N
XLogP4.13
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(7-methyl-1-propylindazol-3-yl)phenol?
The IUPAC name of 4-(7-methyl-1-propylindazol-3-yl)phenol (CID 135511848) is 4-(7-methyl-1-propylindazol-3-yl)phenol.
What is the SMILES notation for 4-(7-methyl-1-propylindazol-3-yl)phenol?
The canonical SMILES for 4-(7-methyl-1-propylindazol-3-yl)phenol is CCCn1nc(-c2ccc(O)cc2)c2cccc(C)c21.
What is the InChIKey of 4-(7-methyl-1-propylindazol-3-yl)phenol?
The InChIKey is KGNRBLHSFFCQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-3-11-19-17-12(2)5-4-6-15(17)16(18-19)13-7-9-14(20)10-8-13/h4-10,20H,3,11H2,1-2H3.
What are the key properties of 4-(7-methyl-1-propylindazol-3-yl)phenol?
4-(7-methyl-1-propylindazol-3-yl)phenol has a molecular weight of 266.34 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methyl-1-propylindazol-3-yl)phenol is sourced from PubChem (CID 135511848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).