3-(4-fluorophenyl)-3-hydroxy-1-(3-phenylpropyl)indol-2-one

C23H20FNO2 — CID 66546442

IUPAC3-(4-fluorophenyl)-3-hydroxy-1-(3-phenylpropyl)indol-2-one
SMILESO=C1N(CCCc2ccccc2)c2ccccc2C1(O)c1ccc(F)cc1
InChIInChI=1S/C23H20FNO2/c24-19-14-12-18(13-15-19)23(27)20-10-4-5-11-21(20)25(22(23)26)16-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-15,27H,6,9,16H2
InChIKeyKIOPOSWFZLGHDA-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.04
Rot. Bonds5

About 3-(4-fluorophenyl)-3-hydroxy-1-(3-phenylpropyl)indol-2-one

3-(4-fluorophenyl)-3-hydroxy-1-(3-phenylpropyl)indol-2-one (PubChem CID 66546442) has the molecular formula C23H20FNO2 and a molecular weight of 361.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-hydroxy-1-(3-phenylpropyl)indol-2-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-hydroxy-1-(3-phenylpropyl)indol-2-one
PubChem CID66546442
Molecular FormulaC23H20FNO2
Molecular Weight361.42 g/mol
Exact Mass361.15
IUPAC Name3-(4-fluorophenyl)-3-hydroxy-1-(3-phenylpropyl)indol-2-one
SMILESO=C1N(CCCc2ccccc2)c2ccccc2C1(O)c1ccc(F)cc1
InChIInChI=1S/C23H20FNO2/c24-19-14-12-18(13-15-19)23(27)20-10-4-5-11-21(20)25(22(23)26)16-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-15,27H,6,9,16H2
InChIKeyKIOPOSWFZLGHDA-UHFFFAOYSA-N
XLogP4.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Hydroxy-3-methyloxindole
CID 151066
3-Hydroxy-3-phenyl-1,3-dihydroindol-2-one
CID 15806
3-Hydroxy-3-(trifluoromethyl)indolin-2-one
CID 2801696
3-Allyl-3-hydroxy-1,3-dihydro-indol-2-one
CID 646528
1-ethyl-3,3-bis(4-hydroxyphenyl)-1,3-dihydro-2H-indol-2-one
CID 2895148
1-Acetyl-3-hydroxy-5-methyl-3-(trifluoromethyl)indolin-2-one
CID 49769449
3-Hydroxy-3-(2-oxopropyl)-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one
CID 2918701
3-Hydroxy-1-methyl-3-(2-oxo-cycloheptyl)-1,3-dihydro-indol-2-one
CID 3127024
3-(2-Cyclopropylethynyl)-3-hydroxy-1-methyl-indolin-2-one
CID 49777613
N-phenyl-3-hydroxy-2-oxo-3-trifluoromethylindoline
CID 3289664
1-Benzyl-3-hydroxy-3-phenyl-1,3-dihydro-indol-2-one
CID 11141594
3-Hydroxy-1-methyl-3-(2-oxo-2-phenylethyl)-1,3-dihydro-2H-indol-2-one
CID 325380

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-hydroxy-1-(3-phenylpropyl)indol-2-one?
The IUPAC name of 3-(4-fluorophenyl)-3-hydroxy-1-(3-phenylpropyl)indol-2-one (CID 66546442) is 3-(4-fluorophenyl)-3-hydroxy-1-(3-phenylpropyl)indol-2-one.
What is the SMILES notation for 3-(4-fluorophenyl)-3-hydroxy-1-(3-phenylpropyl)indol-2-one?
The canonical SMILES for 3-(4-fluorophenyl)-3-hydroxy-1-(3-phenylpropyl)indol-2-one is O=C1N(CCCc2ccccc2)c2ccccc2C1(O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-3-hydroxy-1-(3-phenylpropyl)indol-2-one?
The InChIKey is KIOPOSWFZLGHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO2/c24-19-14-12-18(13-15-19)23(27)20-10-4-5-11-21(20)25(22(23)26)16-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-15,27H,6,9,16H2.
What are the key properties of 3-(4-fluorophenyl)-3-hydroxy-1-(3-phenylpropyl)indol-2-one?
3-(4-fluorophenyl)-3-hydroxy-1-(3-phenylpropyl)indol-2-one has a molecular weight of 361.42 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-hydroxy-1-(3-phenylpropyl)indol-2-one is sourced from PubChem (CID 66546442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).