5-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one

C15H12FNO2 — CID 61088889

IUPAC5-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(O)c3cccc(F)c3)ccc2N1
InChIInChI=1S/C15H12FNO2/c16-12-3-1-2-9(7-12)15(19)10-4-5-13-11(6-10)8-14(18)17-13/h1-7,15,19H,8H2,(H,17,18)
InChIKeyOEZOQFUJNLJSCR-UHFFFAOYSA-N
MW257.26 g/mol
LogP2.40
Rot. Bonds2

About 5-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one

5-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one (PubChem CID 61088889) has the molecular formula C15H12FNO2 and a molecular weight of 257.26 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
PubChem CID61088889
Molecular FormulaC15H12FNO2
Molecular Weight257.26 g/mol
Exact Mass257.09
IUPAC Name5-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(O)c3cccc(F)c3)ccc2N1
InChIInChI=1S/C15H12FNO2/c16-12-3-1-2-9(7-12)15(19)10-4-5-13-11(6-10)8-14(18)17-13/h1-7,15,19H,8H2,(H,17,18)
InChIKeyOEZOQFUJNLJSCR-UHFFFAOYSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(3,5-difluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 61087016
7-[(3-fluorophenyl)-hydroxymethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61082022
5-[(2,6-difluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 61086834
5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 107991147
5-[2,3-dihydro-1H-inden-5-yl(hydroxy)methyl]-1,3-dihydroindol-2-one
CID 61087937
6-[chloro-(3-fluorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61083566
5-[(3-fluoro-4-methoxyphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 62920423
5-[hydroxy-(2,3,4-trifluorophenyl)methyl]-1,3-dihydroindol-2-one
CID 79755388
5-[(2-bromo-5-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 81112630
5-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 63210169
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
5-(1-hydroxy-2-phenylbutyl)-1,3-dihydroindol-2-one
CID 61088892

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one (CID 61088889) is 5-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(C(O)c3cccc(F)c3)ccc2N1.
What is the InChIKey of 5-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one?
The InChIKey is OEZOQFUJNLJSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2/c16-12-3-1-2-9(7-12)15(19)10-4-5-13-11(6-10)8-14(18)17-13/h1-7,15,19H,8H2,(H,17,18).
What are the key properties of 5-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one?
5-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one has a molecular weight of 257.26 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 61088889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).