difluoromethane;3-[hydroxy-(1-phenylindazol-5-yl)methyl]phenol

C21H18F2N2O2 — CID 143372345

IUPACdifluoromethane;3-[hydroxy-(1-phenylindazol-5-yl)methyl]phenol
SMILESFCF.Oc1cccc(C(O)c2ccc3c(cnn3-c3ccccc3)c2)c1
InChIInChI=1S/C20H16N2O2.CH2F2/c23-18-8-4-5-14(12-18)20(24)15-9-10-19-16(11-15)13-21-22(19)17-6-2-1-3-7-17;2-1-3/h1-13,20,23-24H;1H2
InChIKeyMJFZXTKRNABSFC-UHFFFAOYSA-N
MW368.38 g/mol
LogP4.70
Rot. Bonds3

About difluoromethane;3-[hydroxy-(1-phenylindazol-5-yl)methyl]phenol

difluoromethane;3-[hydroxy-(1-phenylindazol-5-yl)methyl]phenol (PubChem CID 143372345) has the molecular formula C21H18F2N2O2 and a molecular weight of 368.38 g/mol. Its IUPAC name is difluoromethane;3-[hydroxy-(1-phenylindazol-5-yl)methyl]phenol.

Molecular Properties

Compound Namedifluoromethane;3-[hydroxy-(1-phenylindazol-5-yl)methyl]phenol
PubChem CID143372345
Molecular FormulaC21H18F2N2O2
Molecular Weight368.38 g/mol
Exact Mass368.13
IUPAC Namedifluoromethane;3-[hydroxy-(1-phenylindazol-5-yl)methyl]phenol
SMILESFCF.Oc1cccc(C(O)c2ccc3c(cnn3-c3ccccc3)c2)c1
InChIInChI=1S/C20H16N2O2.CH2F2/c23-18-8-4-5-14(12-18)20(24)15-9-10-19-16(11-15)13-21-22(19)17-6-2-1-3-7-17;2-1-3/h1-13,20,23-24H;1H2
InChIKeyMJFZXTKRNABSFC-UHFFFAOYSA-N
XLogP4.70
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-fluorophenyl)indazol-5-yl]-pyridin-4-ylmethanol
CID 67005631
1-(1-phenylindazol-5-yl)propan-2-ol
CID 69178266
3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenyl-N-prop-1-en-2-ylpropan-1-amine
CID 143670879
3-[1-(4-fluorophenyl)indazol-5-yl]-N-methyl-3-phenylpropanamide
CID 59252835
1-phenylindazol-5-amine
CID 83414114
2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]-2-methylbutanoic acid
CID 174601440
3-[1-(4-fluorophenyl)indazol-5-yl]-N-methyl-3-phenylpropanamide;[1-(4-fluorophenyl)indazol-5-yl]-phenylmethanol;methyl (E)-3-[1-(4-fluorophenyl)indazol-5-yl]-3-phenylprop-2-enoate
CID 159224349
N-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanamide
CID 59252893
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-2,2-dimethylpropanamide
CID 59251075
N-benzyl-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanamine
CID 59437304
2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-hydroxyphenyl)propan-2-yl]acetamide
CID 25012028
N-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-3,3-dimethylbutanamide
CID 68708258

Frequently Asked Questions

What is the IUPAC name of difluoromethane;3-[hydroxy-(1-phenylindazol-5-yl)methyl]phenol?
The IUPAC name of difluoromethane;3-[hydroxy-(1-phenylindazol-5-yl)methyl]phenol (CID 143372345) is difluoromethane;3-[hydroxy-(1-phenylindazol-5-yl)methyl]phenol.
What is the SMILES notation for difluoromethane;3-[hydroxy-(1-phenylindazol-5-yl)methyl]phenol?
The canonical SMILES for difluoromethane;3-[hydroxy-(1-phenylindazol-5-yl)methyl]phenol is FCF.Oc1cccc(C(O)c2ccc3c(cnn3-c3ccccc3)c2)c1.
What is the InChIKey of difluoromethane;3-[hydroxy-(1-phenylindazol-5-yl)methyl]phenol?
The InChIKey is MJFZXTKRNABSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2.CH2F2/c23-18-8-4-5-14(12-18)20(24)15-9-10-19-16(11-15)13-21-22(19)17-6-2-1-3-7-17;2-1-3/h1-13,20,23-24H;1H2.
What are the key properties of difluoromethane;3-[hydroxy-(1-phenylindazol-5-yl)methyl]phenol?
difluoromethane;3-[hydroxy-(1-phenylindazol-5-yl)methyl]phenol has a molecular weight of 368.38 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethane;3-[hydroxy-(1-phenylindazol-5-yl)methyl]phenol is sourced from PubChem (CID 143372345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).