1-(3-fluoro-4-phenylmethoxyphenyl)-4-methylindazole

C21H17FN2O — CID 71066878

IUPAC1-(3-fluoro-4-phenylmethoxyphenyl)-4-methylindazole
SMILESCc1cccc2c1cnn2-c1ccc(OCc2ccccc2)c(F)c1
InChIInChI=1S/C21H17FN2O/c1-15-6-5-9-20-18(15)13-23-24(20)17-10-11-21(19(22)12-17)25-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3
InChIKeyGCCJJJUPTDGWBF-UHFFFAOYSA-N
MW332.38 g/mol
LogP5.05
Rot. Bonds4

About 1-(3-fluoro-4-phenylmethoxyphenyl)-4-methylindazole

1-(3-fluoro-4-phenylmethoxyphenyl)-4-methylindazole (PubChem CID 71066878) has the molecular formula C21H17FN2O and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-(3-fluoro-4-phenylmethoxyphenyl)-4-methylindazole.

Molecular Properties

Compound Name1-(3-fluoro-4-phenylmethoxyphenyl)-4-methylindazole
PubChem CID71066878
Molecular FormulaC21H17FN2O
Molecular Weight332.38 g/mol
Exact Mass332.13
IUPAC Name1-(3-fluoro-4-phenylmethoxyphenyl)-4-methylindazole
SMILESCc1cccc2c1cnn2-c1ccc(OCc2ccccc2)c(F)c1
InChIInChI=1S/C21H17FN2O/c1-15-6-5-9-20-18(15)13-23-24(20)17-10-11-21(19(22)12-17)25-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3
InChIKeyGCCJJJUPTDGWBF-UHFFFAOYSA-N
XLogP5.05
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.38
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-4-phenylmethoxyindazole
CID 59272957
3-deuterio-1-(3-fluoro-4-phenylmethoxyphenyl)-4-hydroxyindazole-6-carbonitrile
CID 137153035
1-methyl-4-phenylmethoxyindazole
CID 143030970
2,3-difluoro-1-methyl-4-phenylmethoxybenzene
CID 57470603
4-fluoro-1-(4-fluoro-3-methylphenyl)-5-phenylmethoxy-2-propan-2-ylindole
CID 156877587
4-bromo-1-(3,5-difluoro-4-phenylmethoxyphenyl)indazole-6-carbonitrile
CID 67245855
4-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine
CID 117478888
1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine
CID 23037612
4-[4-[(2,6-dimethylphenoxy)methyl]phenyl]-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 19582237
ethane;3-(3-fluoro-4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one;methanol
CID 142959688
5-(3-fluoro-4-phenylmethoxyphenyl)-3-[(2-methylphenyl)methyl]pyrimidin-4-one
CID 68836654
2-tert-butyl-1-(4-fluorophenyl)-4-phenylmethoxyindole
CID 168755173

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-phenylmethoxyphenyl)-4-methylindazole?
The IUPAC name of 1-(3-fluoro-4-phenylmethoxyphenyl)-4-methylindazole (CID 71066878) is 1-(3-fluoro-4-phenylmethoxyphenyl)-4-methylindazole.
What is the SMILES notation for 1-(3-fluoro-4-phenylmethoxyphenyl)-4-methylindazole?
The canonical SMILES for 1-(3-fluoro-4-phenylmethoxyphenyl)-4-methylindazole is Cc1cccc2c1cnn2-c1ccc(OCc2ccccc2)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-phenylmethoxyphenyl)-4-methylindazole?
The InChIKey is GCCJJJUPTDGWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O/c1-15-6-5-9-20-18(15)13-23-24(20)17-10-11-21(19(22)12-17)25-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3.
What are the key properties of 1-(3-fluoro-4-phenylmethoxyphenyl)-4-methylindazole?
1-(3-fluoro-4-phenylmethoxyphenyl)-4-methylindazole has a molecular weight of 332.38 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-phenylmethoxyphenyl)-4-methylindazole is sourced from PubChem (CID 71066878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).