1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(3-methylbut-2-enyl)indol-2-one

C20H20FNO2 — CID 132512055

IUPAC1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(3-methylbut-2-enyl)indol-2-one
SMILESCC(C)=CCC1(O)C(=O)N(Cc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C20H20FNO2/c1-14(2)11-12-20(24)17-5-3-4-6-18(17)22(19(20)23)13-15-7-9-16(21)10-8-15/h3-11,24H,12-13H2,1-2H3
InChIKeyQICKQERBOKLPPY-UHFFFAOYSA-N
MW325.38 g/mol
LogP3.92
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(3-methylbut-2-enyl)indol-2-one

1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(3-methylbut-2-enyl)indol-2-one (PubChem CID 132512055) has the molecular formula C20H20FNO2 and a molecular weight of 325.38 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(3-methylbut-2-enyl)indol-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(3-methylbut-2-enyl)indol-2-one
PubChem CID132512055
Molecular FormulaC20H20FNO2
Molecular Weight325.38 g/mol
Exact Mass325.15
IUPAC Name1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(3-methylbut-2-enyl)indol-2-one
SMILESCC(C)=CCC1(O)C(=O)N(Cc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C20H20FNO2/c1-14(2)11-12-20(24)17-5-3-4-6-18(17)22(19(20)23)13-15-7-9-16(21)10-8-15/h3-11,24H,12-13H2,1-2H3
InChIKeyQICKQERBOKLPPY-UHFFFAOYSA-N
XLogP3.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(pyridin-4-ylmethyl)indol-2-one
CID 7328364
(3R)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]indol-2-one
CID 9350048
(3R)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3-prop-2-enylindol-2-one
CID 24862080
3-[2-(4-fluorophenyl)ethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one
CID 138623779
(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]indol-2-one
CID 40823341
(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one
CID 7680451
(3S)-3-[2-(3-bromophenyl)-2-oxoethyl]-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one
CID 1425877
(3S)-1-benzyl-3-hydroxy-3-[(2R)-2-hydroxypropyl]indol-2-one
CID 9177438
(3R)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one
CID 40943701
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one
CID 17078067
1-[(3-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 3442140
(3R)-1-benzyl-3-hydroxy-3-phenacylindol-2-one
CID 7014468

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(3-methylbut-2-enyl)indol-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(3-methylbut-2-enyl)indol-2-one (CID 132512055) is 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(3-methylbut-2-enyl)indol-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(3-methylbut-2-enyl)indol-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(3-methylbut-2-enyl)indol-2-one is CC(C)=CCC1(O)C(=O)N(Cc2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(3-methylbut-2-enyl)indol-2-one?
The InChIKey is QICKQERBOKLPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO2/c1-14(2)11-12-20(24)17-5-3-4-6-18(17)22(19(20)23)13-15-7-9-16(21)10-8-15/h3-11,24H,12-13H2,1-2H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(3-methylbut-2-enyl)indol-2-one?
1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(3-methylbut-2-enyl)indol-2-one has a molecular weight of 325.38 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(3-methylbut-2-enyl)indol-2-one is sourced from PubChem (CID 132512055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).