4-[4-(2-phenylcyclopropyl)-1H-indazol-6-yl]phenol

C22H18N2O — CID 137069111

IUPAC4-[4-(2-phenylcyclopropyl)-1H-indazol-6-yl]phenol
SMILESOc1ccc(-c2cc(C3CC3c3ccccc3)c3cn[nH]c3c2)cc1
InChIInChI=1S/C22H18N2O/c25-17-8-6-14(7-9-17)16-10-19(21-13-23-24-22(21)11-16)20-12-18(20)15-4-2-1-3-5-15/h1-11,13,18,20,25H,12H2,(H,23,24)
InChIKeyDROACHJNEJFLCN-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.21
Rot. Bonds3

About 4-[4-(2-phenylcyclopropyl)-1H-indazol-6-yl]phenol

4-[4-(2-phenylcyclopropyl)-1H-indazol-6-yl]phenol (PubChem CID 137069111) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-[4-(2-phenylcyclopropyl)-1H-indazol-6-yl]phenol.

Molecular Properties

Compound Name4-[4-(2-phenylcyclopropyl)-1H-indazol-6-yl]phenol
PubChem CID137069111
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name4-[4-(2-phenylcyclopropyl)-1H-indazol-6-yl]phenol
SMILESOc1ccc(-c2cc(C3CC3c3ccccc3)c3cn[nH]c3c2)cc1
InChIInChI=1S/C22H18N2O/c25-17-8-6-14(7-9-17)16-10-19(21-13-23-24-22(21)11-16)20-12-18(20)15-4-2-1-3-5-15/h1-11,13,18,20,25H,12H2,(H,23,24)
InChIKeyDROACHJNEJFLCN-UHFFFAOYSA-N
XLogP5.21
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.21
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-(3-Amino-1H-indazol-6-yl)phenol
CID 135466441
N-[6-(4-Hydroxyphenyl)-1H-indazol-4-yl]cyclopropanecarboxamide
CID 135927892
4-(dimethylsulfamoylamino)-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazole
CID 136901416
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]-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-[4-(2-phenylcyclopropyl)-1H-indazol-6-yl]phenol?
The IUPAC name of 4-[4-(2-phenylcyclopropyl)-1H-indazol-6-yl]phenol (CID 137069111) is 4-[4-(2-phenylcyclopropyl)-1H-indazol-6-yl]phenol.
What is the SMILES notation for 4-[4-(2-phenylcyclopropyl)-1H-indazol-6-yl]phenol?
The canonical SMILES for 4-[4-(2-phenylcyclopropyl)-1H-indazol-6-yl]phenol is Oc1ccc(-c2cc(C3CC3c3ccccc3)c3cn[nH]c3c2)cc1.
What is the InChIKey of 4-[4-(2-phenylcyclopropyl)-1H-indazol-6-yl]phenol?
The InChIKey is DROACHJNEJFLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c25-17-8-6-14(7-9-17)16-10-19(21-13-23-24-22(21)11-16)20-12-18(20)15-4-2-1-3-5-15/h1-11,13,18,20,25H,12H2,(H,23,24).
What are the key properties of 4-[4-(2-phenylcyclopropyl)-1H-indazol-6-yl]phenol?
4-[4-(2-phenylcyclopropyl)-1H-indazol-6-yl]phenol has a molecular weight of 326.40 g/mol, XLogP of 5.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-phenylcyclopropyl)-1H-indazol-6-yl]phenol is sourced from PubChem (CID 137069111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).