3-[(5-fluoro-2-methylphenyl)methyl]-3-hydroxy-1H-indol-2-one

C16H14FNO2 — CID 105372992

IUPAC3-[(5-fluoro-2-methylphenyl)methyl]-3-hydroxy-1H-indol-2-one
SMILESCc1ccc(F)cc1CC1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C16H14FNO2/c1-10-6-7-12(17)8-11(10)9-16(20)13-4-2-3-5-14(13)18-15(16)19/h2-8,20H,9H2,1H3,(H,18,19)
InChIKeyYAZOCQPKINHLFV-UHFFFAOYSA-N
MW271.29 g/mol
LogP2.52
Rot. Bonds2

About 3-[(5-fluoro-2-methylphenyl)methyl]-3-hydroxy-1H-indol-2-one

3-[(5-fluoro-2-methylphenyl)methyl]-3-hydroxy-1H-indol-2-one (PubChem CID 105372992) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 3-[(5-fluoro-2-methylphenyl)methyl]-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name3-[(5-fluoro-2-methylphenyl)methyl]-3-hydroxy-1H-indol-2-one
PubChem CID105372992
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name3-[(5-fluoro-2-methylphenyl)methyl]-3-hydroxy-1H-indol-2-one
SMILESCc1ccc(F)cc1CC1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C16H14FNO2/c1-10-6-7-12(17)8-11(10)9-16(20)13-4-2-3-5-14(13)18-15(16)19/h2-8,20H,9H2,1H3,(H,18,19)
InChIKeyYAZOCQPKINHLFV-UHFFFAOYSA-N
XLogP2.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,4-difluorophenyl)methyl]-3-hydroxy-1H-indol-2-one
CID 83034401
(3R)-3-benzyl-3-hydroxy-1H-indol-2-one
CID 139192718
(3S)-3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-2-one
CID 696392
3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-hydroxy-1H-indol-2-one
CID 83035129
3-hydroxy-3-(thiophen-3-ylmethyl)-1H-indol-2-one
CID 83034918
5-fluoro-3-hydroxy-3-phenacyl-1H-indol-2-one
CID 2944765
2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetonitrile
CID 11658413
3-butyl-3-hydroxy-1H-indol-2-one
CID 15744776
(3R)-5-fluoro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 1425817
3-hydroxy-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 3152125
(3S)-3-[(4-amino-3-methyl-1,2-oxazol-5-yl)methyl]-3-hydroxy-1H-indol-2-one
CID 139200280
1-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-ol
CID 105372690

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2-methylphenyl)methyl]-3-hydroxy-1H-indol-2-one?
The IUPAC name of 3-[(5-fluoro-2-methylphenyl)methyl]-3-hydroxy-1H-indol-2-one (CID 105372992) is 3-[(5-fluoro-2-methylphenyl)methyl]-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 3-[(5-fluoro-2-methylphenyl)methyl]-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 3-[(5-fluoro-2-methylphenyl)methyl]-3-hydroxy-1H-indol-2-one is Cc1ccc(F)cc1CC1(O)C(=O)Nc2ccccc21.
What is the InChIKey of 3-[(5-fluoro-2-methylphenyl)methyl]-3-hydroxy-1H-indol-2-one?
The InChIKey is YAZOCQPKINHLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-10-6-7-12(17)8-11(10)9-16(20)13-4-2-3-5-14(13)18-15(16)19/h2-8,20H,9H2,1H3,(H,18,19).
What are the key properties of 3-[(5-fluoro-2-methylphenyl)methyl]-3-hydroxy-1H-indol-2-one?
3-[(5-fluoro-2-methylphenyl)methyl]-3-hydroxy-1H-indol-2-one has a molecular weight of 271.29 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-2-methylphenyl)methyl]-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 105372992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).