1-fluoro-3-(4-methoxyphenyl)sulfanyl-2-(1-phenylindazol-5-yl)propan-2-ol

C23H21FN2O2S — CID 151959863

IUPAC1-fluoro-3-(4-methoxyphenyl)sulfanyl-2-(1-phenylindazol-5-yl)propan-2-ol
SMILESCOc1ccc(SCC(O)(CF)c2ccc3c(cnn3-c3ccccc3)c2)cc1
InChIInChI=1S/C23H21FN2O2S/c1-28-20-8-10-21(11-9-20)29-16-23(27,15-24)18-7-12-22-17(13-18)14-25-26(22)19-5-3-2-4-6-19/h2-14,27H,15-16H2,1H3
InChIKeyTYKOQNFCCOQRLA-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.98
Rot. Bonds7

About 1-fluoro-3-(4-methoxyphenyl)sulfanyl-2-(1-phenylindazol-5-yl)propan-2-ol

1-fluoro-3-(4-methoxyphenyl)sulfanyl-2-(1-phenylindazol-5-yl)propan-2-ol (PubChem CID 151959863) has the molecular formula C23H21FN2O2S and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-fluoro-3-(4-methoxyphenyl)sulfanyl-2-(1-phenylindazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-fluoro-3-(4-methoxyphenyl)sulfanyl-2-(1-phenylindazol-5-yl)propan-2-ol
PubChem CID151959863
Molecular FormulaC23H21FN2O2S
Molecular Weight408.50 g/mol
Exact Mass408.13
IUPAC Name1-fluoro-3-(4-methoxyphenyl)sulfanyl-2-(1-phenylindazol-5-yl)propan-2-ol
SMILESCOc1ccc(SCC(O)(CF)c2ccc3c(cnn3-c3ccccc3)c2)cc1
InChIInChI=1S/C23H21FN2O2S/c1-28-20-8-10-21(11-9-20)29-16-23(27,15-24)18-7-12-22-17(13-18)14-25-26(22)19-5-3-2-4-6-19/h2-14,27H,15-16H2,1H3
InChIKeyTYKOQNFCCOQRLA-UHFFFAOYSA-N
XLogP4.98
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol
CID 15980493
1-(2,5-dimethoxyphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol
CID 15980497
2,2,2-trifluoro-1-(3-fluoro-4-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol
CID 15980495
1-[N-(aminomethyl)anilino]-3-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-ol
CID 151196257
1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol
CID 15980364
3-methoxy-4-[3,3,3-trifluoro-2-hydroxy-2-(1-phenylindazol-5-yl)propoxy]benzoic acid
CID 141157756
2-(4-methoxyphenyl)sulfanyl-1,1-diphenylethanol
CID 2767182
1-[1-(4-methoxyphenyl)indazol-5-yl]-2-naphthalen-1-ylpropan-2-ol
CID 143371944
cyclobutane;1-(3-methylphenyl)-2-(1-phenylindazol-5-yl)propan-2-ol
CID 143372409
ethyl 4-[2,2,2-trifluoro-1-hydroxy-1-(1-phenylindazol-5-yl)ethyl]quinoline-3-carboxylate
CID 15980812
2,2,2-trifluoro-1-[4-(methylamino)naphthalen-1-yl]-1-(1-phenylindazol-5-yl)ethanol
CID 15979157
1-amino-1-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-phenylpropan-2-ol
CID 150429566

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(4-methoxyphenyl)sulfanyl-2-(1-phenylindazol-5-yl)propan-2-ol?
The IUPAC name of 1-fluoro-3-(4-methoxyphenyl)sulfanyl-2-(1-phenylindazol-5-yl)propan-2-ol (CID 151959863) is 1-fluoro-3-(4-methoxyphenyl)sulfanyl-2-(1-phenylindazol-5-yl)propan-2-ol.
What is the SMILES notation for 1-fluoro-3-(4-methoxyphenyl)sulfanyl-2-(1-phenylindazol-5-yl)propan-2-ol?
The canonical SMILES for 1-fluoro-3-(4-methoxyphenyl)sulfanyl-2-(1-phenylindazol-5-yl)propan-2-ol is COc1ccc(SCC(O)(CF)c2ccc3c(cnn3-c3ccccc3)c2)cc1.
What is the InChIKey of 1-fluoro-3-(4-methoxyphenyl)sulfanyl-2-(1-phenylindazol-5-yl)propan-2-ol?
The InChIKey is TYKOQNFCCOQRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2S/c1-28-20-8-10-21(11-9-20)29-16-23(27,15-24)18-7-12-22-17(13-18)14-25-26(22)19-5-3-2-4-6-19/h2-14,27H,15-16H2,1H3.
What are the key properties of 1-fluoro-3-(4-methoxyphenyl)sulfanyl-2-(1-phenylindazol-5-yl)propan-2-ol?
1-fluoro-3-(4-methoxyphenyl)sulfanyl-2-(1-phenylindazol-5-yl)propan-2-ol has a molecular weight of 408.50 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(4-methoxyphenyl)sulfanyl-2-(1-phenylindazol-5-yl)propan-2-ol is sourced from PubChem (CID 151959863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).