4-methyl-3-[2-(6-methyl-1H-indazol-5-yl)propyl]phenol

C18H20N2O — CID 145283840

IUPAC4-methyl-3-[2-(6-methyl-1H-indazol-5-yl)propyl]phenol
SMILESCc1ccc(O)cc1CC(C)c1cc2cn[nH]c2cc1C
InChIInChI=1S/C18H20N2O/c1-11-4-5-16(21)8-14(11)6-12(2)17-9-15-10-19-20-18(15)7-13(17)3/h4-5,7-10,12,21H,6H2,1-3H3,(H,19,20)
InChIKeyHMYCLOCDENNMPF-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.23
Rot. Bonds3

About 4-methyl-3-[2-(6-methyl-1H-indazol-5-yl)propyl]phenol

4-methyl-3-[2-(6-methyl-1H-indazol-5-yl)propyl]phenol (PubChem CID 145283840) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-methyl-3-[2-(6-methyl-1H-indazol-5-yl)propyl]phenol.

Molecular Properties

Compound Name4-methyl-3-[2-(6-methyl-1H-indazol-5-yl)propyl]phenol
PubChem CID145283840
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name4-methyl-3-[2-(6-methyl-1H-indazol-5-yl)propyl]phenol
SMILESCc1ccc(O)cc1CC(C)c1cc2cn[nH]c2cc1C
InChIInChI=1S/C18H20N2O/c1-11-4-5-16(21)8-14(11)6-12(2)17-9-15-10-19-20-18(15)7-13(17)3/h4-5,7-10,12,21H,6H2,1-3H3,(H,19,20)
InChIKeyHMYCLOCDENNMPF-UHFFFAOYSA-N
XLogP4.23
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Hydroxybenzindazole
CID 97667
2-[(1H-indazol-5-ylimino)methyl]-4-methylphenol
CID 795025
4-(dimethylsulfamoylamino)-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazole
CID 136901416
N-[6-(3-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide
CID 155540191
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide
CID 155540484
4-[4-(diethylphosphorylamino)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol
CID 155540488
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]propane-2-sulfonamide
CID 155541077
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]cyclopentanesulfonamide
CID 155542401
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-1,1,1-trifluoromethanesulfonamide
CID 155542961
N-[6-(4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide
CID 155544706
N-[6-(4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide
CID 155546232
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide
CID 155549690

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-(6-methyl-1H-indazol-5-yl)propyl]phenol?
The IUPAC name of 4-methyl-3-[2-(6-methyl-1H-indazol-5-yl)propyl]phenol (CID 145283840) is 4-methyl-3-[2-(6-methyl-1H-indazol-5-yl)propyl]phenol.
What is the SMILES notation for 4-methyl-3-[2-(6-methyl-1H-indazol-5-yl)propyl]phenol?
The canonical SMILES for 4-methyl-3-[2-(6-methyl-1H-indazol-5-yl)propyl]phenol is Cc1ccc(O)cc1CC(C)c1cc2cn[nH]c2cc1C.
What is the InChIKey of 4-methyl-3-[2-(6-methyl-1H-indazol-5-yl)propyl]phenol?
The InChIKey is HMYCLOCDENNMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-11-4-5-16(21)8-14(11)6-12(2)17-9-15-10-19-20-18(15)7-13(17)3/h4-5,7-10,12,21H,6H2,1-3H3,(H,19,20).
What are the key properties of 4-methyl-3-[2-(6-methyl-1H-indazol-5-yl)propyl]phenol?
4-methyl-3-[2-(6-methyl-1H-indazol-5-yl)propyl]phenol has a molecular weight of 280.37 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-(6-methyl-1H-indazol-5-yl)propyl]phenol is sourced from PubChem (CID 145283840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).