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

C16H15ClN2O — CID 135407148

IUPAC4-(7-chloro-1-propylindazol-3-yl)phenol
SMILESCCCn1nc(-c2ccc(O)cc2)c2cccc(Cl)c21
InChIInChI=1S/C16H15ClN2O/c1-2-10-19-16-13(4-3-5-14(16)17)15(18-19)11-6-8-12(20)9-7-11/h3-9,20H,2,10H2,1H3
InChIKeyOEWGFWIYFTVVAZ-UHFFFAOYSA-N
MW286.76 g/mol
LogP4.47
Rot. Bonds3

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

4-(7-chloro-1-propylindazol-3-yl)phenol (PubChem CID 135407148) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 4-(7-chloro-1-propylindazol-3-yl)phenol.

Molecular Properties

Compound Name4-(7-chloro-1-propylindazol-3-yl)phenol
PubChem CID135407148
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name4-(7-chloro-1-propylindazol-3-yl)phenol
SMILESCCCn1nc(-c2ccc(O)cc2)c2cccc(Cl)c21
InChIInChI=1S/C16H15ClN2O/c1-2-10-19-16-13(4-3-5-14(16)17)15(18-19)11-6-8-12(20)9-7-11/h3-9,20H,2,10H2,1H3
InChIKeyOEWGFWIYFTVVAZ-UHFFFAOYSA-N
XLogP4.47
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-1-propylindazol-3-yl)phenol?
The IUPAC name of 4-(7-chloro-1-propylindazol-3-yl)phenol (CID 135407148) is 4-(7-chloro-1-propylindazol-3-yl)phenol.
What is the SMILES notation for 4-(7-chloro-1-propylindazol-3-yl)phenol?
The canonical SMILES for 4-(7-chloro-1-propylindazol-3-yl)phenol is CCCn1nc(-c2ccc(O)cc2)c2cccc(Cl)c21.
What is the InChIKey of 4-(7-chloro-1-propylindazol-3-yl)phenol?
The InChIKey is OEWGFWIYFTVVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-2-10-19-16-13(4-3-5-14(16)17)15(18-19)11-6-8-12(20)9-7-11/h3-9,20H,2,10H2,1H3.
What are the key properties of 4-(7-chloro-1-propylindazol-3-yl)phenol?
4-(7-chloro-1-propylindazol-3-yl)phenol has a molecular weight of 286.76 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-1-propylindazol-3-yl)phenol is sourced from PubChem (CID 135407148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).