3-[4-(2-phenylcyclopropyl)-1H-indazol-6-yl]phenol

C22H18N2O — CID 123722966

IUPAC3-[4-(2-phenylcyclopropyl)-1H-indazol-6-yl]phenol
SMILESOc1cccc(-c2cc(C3CC3c3ccccc3)c3cn[nH]c3c2)c1
InChIInChI=1S/C22H18N2O/c25-17-8-4-7-15(9-17)16-10-19(21-13-23-24-22(21)11-16)20-12-18(20)14-5-2-1-3-6-14/h1-11,13,18,20,25H,12H2,(H,23,24)
InChIKeyWQZMHISJHMIVMA-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.21
Rot. Bonds3

About 3-[4-(2-phenylcyclopropyl)-1H-indazol-6-yl]phenol

3-[4-(2-phenylcyclopropyl)-1H-indazol-6-yl]phenol (PubChem CID 123722966) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[4-(2-phenylcyclopropyl)-1H-indazol-6-yl]phenol.

Molecular Properties

Compound Name3-[4-(2-phenylcyclopropyl)-1H-indazol-6-yl]phenol
PubChem CID123722966
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name3-[4-(2-phenylcyclopropyl)-1H-indazol-6-yl]phenol
SMILESOc1cccc(-c2cc(C3CC3c3ccccc3)c3cn[nH]c3c2)c1
InChIInChI=1S/C22H18N2O/c25-17-8-4-7-15(9-17)16-10-19(21-13-23-24-22(21)11-16)20-12-18(20)14-5-2-1-3-6-14/h1-11,13,18,20,25H,12H2,(H,23,24)
InChIKeyWQZMHISJHMIVMA-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
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-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide
CID 155549690
1-(6-ethyl-1H-indazol-4-yl)-2-phenylethanol
CID 155554553
N-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide
CID 155554939

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-phenylcyclopropyl)-1H-indazol-6-yl]phenol?
The IUPAC name of 3-[4-(2-phenylcyclopropyl)-1H-indazol-6-yl]phenol (CID 123722966) is 3-[4-(2-phenylcyclopropyl)-1H-indazol-6-yl]phenol.
What is the SMILES notation for 3-[4-(2-phenylcyclopropyl)-1H-indazol-6-yl]phenol?
The canonical SMILES for 3-[4-(2-phenylcyclopropyl)-1H-indazol-6-yl]phenol is Oc1cccc(-c2cc(C3CC3c3ccccc3)c3cn[nH]c3c2)c1.
What is the InChIKey of 3-[4-(2-phenylcyclopropyl)-1H-indazol-6-yl]phenol?
The InChIKey is WQZMHISJHMIVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c25-17-8-4-7-15(9-17)16-10-19(21-13-23-24-22(21)11-16)20-12-18(20)14-5-2-1-3-6-14/h1-11,13,18,20,25H,12H2,(H,23,24).
What are the key properties of 3-[4-(2-phenylcyclopropyl)-1H-indazol-6-yl]phenol?
3-[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 3-[4-(2-phenylcyclopropyl)-1H-indazol-6-yl]phenol is sourced from PubChem (CID 123722966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).