2-[(2,4-difluorophenyl)methyl]isoindol-1-ol

C15H11F2NO — CID 91103901

IUPAC2-[(2,4-difluorophenyl)methyl]isoindol-1-ol
SMILESOc1c2ccccc2cn1Cc1ccc(F)cc1F
InChIInChI=1S/C15H11F2NO/c16-12-6-5-11(14(17)7-12)9-18-8-10-3-1-2-4-13(10)15(18)19/h1-8,19H,9H2
InChIKeyYRRLNLMVQGUPCX-UHFFFAOYSA-N
MW259.26 g/mol
LogP3.67
Rot. Bonds2

About 2-[(2,4-difluorophenyl)methyl]isoindol-1-ol

2-[(2,4-difluorophenyl)methyl]isoindol-1-ol (PubChem CID 91103901) has the molecular formula C15H11F2NO and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methyl]isoindol-1-ol.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methyl]isoindol-1-ol
PubChem CID91103901
Molecular FormulaC15H11F2NO
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name2-[(2,4-difluorophenyl)methyl]isoindol-1-ol
SMILESOc1c2ccccc2cn1Cc1ccc(F)cc1F
InChIInChI=1S/C15H11F2NO/c16-12-6-5-11(14(17)7-12)9-18-8-10-3-1-2-4-13(10)15(18)19/h1-8,19H,9H2
InChIKeyYRRLNLMVQGUPCX-UHFFFAOYSA-N
XLogP3.67
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
1-{3-H-imidazo[4,5-c]pyridin-2-yl}-3,4-dihydro-2H-pyrido[2,1-a]-isoindole-6-one
CID 136360144
(1Z)-1-imidazo[4,5-c]pyridin-2-ylidene-3,4-dihydro-2H-pyrido[1,2-b]isoindol-6-ol
CID 135510969
Isoindolol
CID 21225249
6-fluoro-2H-isoindol-1-ol
CID 54270389
4-fluoro-2H-isoindol-1-ol
CID 54413322
2,2,2-Trifluoro-1-[4-(3-isoindol-2-ylpropyl)phenyl]ethanol
CID 69620548
2H-isoindol-1-yloxy-(2,3,4,5,6-pentafluorophenoxy)borinic acid
CID 88257609
2-[(4-Chlorophenyl)methyl]-5-fluoro-7-methylisoindol-1-ol
CID 90687564
2-[3-[4-(4-Fluorophenoxy)phenyl]propyl]-7-iodoisoindol-1-ol
CID 90701761
6-Fluoro-2-[(4-fluorophenyl)methyl]-7-methylisoindol-1-ol
CID 90705871
7-Amino-2-(3,3,3-trifluoropropyl)isoindol-1-ol
CID 90718591

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methyl]isoindol-1-ol?
The IUPAC name of 2-[(2,4-difluorophenyl)methyl]isoindol-1-ol (CID 91103901) is 2-[(2,4-difluorophenyl)methyl]isoindol-1-ol.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methyl]isoindol-1-ol?
The canonical SMILES for 2-[(2,4-difluorophenyl)methyl]isoindol-1-ol is Oc1c2ccccc2cn1Cc1ccc(F)cc1F.
What is the InChIKey of 2-[(2,4-difluorophenyl)methyl]isoindol-1-ol?
The InChIKey is YRRLNLMVQGUPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO/c16-12-6-5-11(14(17)7-12)9-18-8-10-3-1-2-4-13(10)15(18)19/h1-8,19H,9H2.
What are the key properties of 2-[(2,4-difluorophenyl)methyl]isoindol-1-ol?
2-[(2,4-difluorophenyl)methyl]isoindol-1-ol has a molecular weight of 259.26 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methyl]isoindol-1-ol is sourced from PubChem (CID 91103901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).