[2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanol

C15H14FNO — CID 62206262

IUPAC[2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanol
SMILESOCc1cc(F)ccc1N1Cc2ccccc2C1
InChIInChI=1S/C15H14FNO/c16-14-5-6-15(13(7-14)10-18)17-8-11-3-1-2-4-12(11)9-17/h1-7,18H,8-10H2
InChIKeyGDVRLLZWWMGWBQ-UHFFFAOYSA-N
MW243.28 g/mol
LogP2.84
Rot. Bonds2

About [2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanol

[2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanol (PubChem CID 62206262) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is [2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanol
PubChem CID62206262
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name[2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanol
SMILESOCc1cc(F)ccc1N1Cc2ccccc2C1
InChIInChI=1S/C15H14FNO/c16-14-5-6-15(13(7-14)10-18)17-8-11-3-1-2-4-12(11)9-17/h1-7,18H,8-10H2
InChIKeyGDVRLLZWWMGWBQ-UHFFFAOYSA-N
XLogP2.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanamine
CID 55049952
2-(2,5-difluorophenyl)-1,3-dihydroisoindole
CID 22638395
N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-fluorophenyl]methyl]ethanamine
CID 43313766
[5-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanol
CID 66393104
[5-fluoro-2-(4-propylpiperazin-1-yl)phenyl]methanol
CID 43313182
1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-3-ol
CID 61434288
[2-(4-butan-2-ylpiperazin-1-yl)-5-fluorophenyl]methanol
CID 62774818
2-[4-fluoro-2-(hydroxymethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 113399306
2-[1-[4-fluoro-2-(hydroxymethyl)phenyl]piperidin-4-yl]oxyethanol
CID 82691559
[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluorophenyl]methanol
CID 79934838
5-fluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)benzonitrile
CID 63668880
[2-(1,3-dihydroisoindol-2-ylmethyl)-4-fluorophenyl]methanamine
CID 64769111

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanol?
The IUPAC name of [2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanol (CID 62206262) is [2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanol.
What is the SMILES notation for [2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanol?
The canonical SMILES for [2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanol is OCc1cc(F)ccc1N1Cc2ccccc2C1.
What is the InChIKey of [2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanol?
The InChIKey is GDVRLLZWWMGWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c16-14-5-6-15(13(7-14)10-18)17-8-11-3-1-2-4-12(11)9-17/h1-7,18H,8-10H2.
What are the key properties of [2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanol?
[2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanol has a molecular weight of 243.28 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanol is sourced from PubChem (CID 62206262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).