2-(2-fluoro-1-phenylethyl)isoindole-1,3-diol

C16H14FNO2 — CID 123886213

IUPAC2-(2-fluoro-1-phenylethyl)isoindole-1,3-diol
SMILESOc1c2ccccc2c(O)n1C(CF)c1ccccc1
InChIInChI=1S/C16H14FNO2/c17-10-14(11-6-2-1-3-7-11)18-15(19)12-8-4-5-9-13(12)16(18)20/h1-9,14,19-20H,10H2
InChIKeyBNEIXUCEBQODTA-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.61
Rot. Bonds3

About 2-(2-fluoro-1-phenylethyl)isoindole-1,3-diol

2-(2-fluoro-1-phenylethyl)isoindole-1,3-diol (PubChem CID 123886213) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-(2-fluoro-1-phenylethyl)isoindole-1,3-diol.

Molecular Properties

Compound Name2-(2-fluoro-1-phenylethyl)isoindole-1,3-diol
PubChem CID123886213
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name2-(2-fluoro-1-phenylethyl)isoindole-1,3-diol
SMILESOc1c2ccccc2c(O)n1C(CF)c1ccccc1
InChIInChI=1S/C16H14FNO2/c17-10-14(11-6-2-1-3-7-11)18-15(19)12-8-4-5-9-13(12)16(18)20/h1-9,14,19-20H,10H2
InChIKeyBNEIXUCEBQODTA-UHFFFAOYSA-N
XLogP3.61
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3h-Imidazo[4,5-C]pyridin-2-Yl)-3,4-Dihydropyrido[2,1-A]isoindol-6(2h)-One
CID 135566392
3-(2-benzyl-1,3-dioxoisoindolin-5-yl)-N-hydroxyacrylamide
CID 135424818
(E)-3-[1,3-dihydroxy-2-(2-phenylethyl)isoindol-5-yl]-N-oxoprop-2-enamide
CID 135906531
(E)-3-[1,3-dihydroxy-2-[(1S)-1-phenylethyl]isoindol-5-yl]-N-oxoprop-2-enamide
CID 136184411
(E)-3-[1,3-dihydroxy-2-[(1R)-1-phenylethyl]isoindol-5-yl]-N-oxoprop-2-enamide
CID 136184412
(E)-3-(2-benzhydryl-1,3-dihydroxyisoindol-5-yl)-N-oxoprop-2-enamide
CID 135906525
1-phenyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)indol-2-ol
CID 135903014
3-(3H-indol-2-yl)-1-methylindol-2-ol
CID 136066022
1-{3-H-imidazo[4,5-c]pyridin-2-yl}-3,4-dihydro-2H-pyrido[2,1-a]-isoindole-6-one
CID 136360144
(2''Z,3''E)-7-fluoro-1-methylindirubin-3''-methoxime
CID 135423803
(1Z)-1-imidazo[4,5-c]pyridin-2-ylidene-3,4-dihydro-2H-pyrido[1,2-b]isoindol-6-ol
CID 135510969
2-(2-Fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 123175013

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-1-phenylethyl)isoindole-1,3-diol?
The IUPAC name of 2-(2-fluoro-1-phenylethyl)isoindole-1,3-diol (CID 123886213) is 2-(2-fluoro-1-phenylethyl)isoindole-1,3-diol.
What is the SMILES notation for 2-(2-fluoro-1-phenylethyl)isoindole-1,3-diol?
The canonical SMILES for 2-(2-fluoro-1-phenylethyl)isoindole-1,3-diol is Oc1c2ccccc2c(O)n1C(CF)c1ccccc1.
What is the InChIKey of 2-(2-fluoro-1-phenylethyl)isoindole-1,3-diol?
The InChIKey is BNEIXUCEBQODTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c17-10-14(11-6-2-1-3-7-11)18-15(19)12-8-4-5-9-13(12)16(18)20/h1-9,14,19-20H,10H2.
What are the key properties of 2-(2-fluoro-1-phenylethyl)isoindole-1,3-diol?
2-(2-fluoro-1-phenylethyl)isoindole-1,3-diol has a molecular weight of 271.29 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-1-phenylethyl)isoindole-1,3-diol is sourced from PubChem (CID 123886213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).