2-[3-(3-fluorophenyl)propyl]isoindol-1-ol

C17H16FNO — CID 91098205

IUPAC2-[3-(3-fluorophenyl)propyl]isoindol-1-ol
SMILESOc1c2ccccc2cn1CCCc1cccc(F)c1
InChIInChI=1S/C17H16FNO/c18-15-8-3-5-13(11-15)6-4-10-19-12-14-7-1-2-9-16(14)17(19)20/h1-3,5,7-9,11-12,20H,4,6,10H2
InChIKeyNNQYKCXJZUKKRN-UHFFFAOYSA-N
MW269.32 g/mol
LogP4.12
Rot. Bonds4

About 2-[3-(3-fluorophenyl)propyl]isoindol-1-ol

2-[3-(3-fluorophenyl)propyl]isoindol-1-ol (PubChem CID 91098205) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-[3-(3-fluorophenyl)propyl]isoindol-1-ol.

Molecular Properties

Compound Name2-[3-(3-fluorophenyl)propyl]isoindol-1-ol
PubChem CID91098205
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name2-[3-(3-fluorophenyl)propyl]isoindol-1-ol
SMILESOc1c2ccccc2cn1CCCc1cccc(F)c1
InChIInChI=1S/C17H16FNO/c18-15-8-3-5-13(11-15)6-4-10-19-12-14-7-1-2-9-16(14)17(19)20/h1-3,5,7-9,11-12,20H,4,6,10H2
InChIKeyNNQYKCXJZUKKRN-UHFFFAOYSA-N
XLogP4.12
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 54.12
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
4-[1-Benzyl-4-(4-hydroxyphenyl)pyrrol-3-yl]phenol
CID 137631413
(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
Isoindolo[1,2-c][2,4]-benzoxazepine
CID 142755489
4-allyl-5-hydroxy-N-(4-fluorobenzyl)indole
CID 53978806
6-fluoro-2H-isoindol-1-ol
CID 54270389
2-[4-[4-[(4-Fluorophenyl)methyl]piperidin-1-yl]butyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 54291137
4-fluoro-2H-isoindol-1-ol
CID 54413322
2,2,2-Trifluoro-1-[4-(3-isoindol-2-ylpropyl)phenyl]ethanol
CID 69620548
2-Fluoro-4-[3-methyl-4-(2-phenylethyl)indol-1-yl]phenol
CID 70986827

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluorophenyl)propyl]isoindol-1-ol?
The IUPAC name of 2-[3-(3-fluorophenyl)propyl]isoindol-1-ol (CID 91098205) is 2-[3-(3-fluorophenyl)propyl]isoindol-1-ol.
What is the SMILES notation for 2-[3-(3-fluorophenyl)propyl]isoindol-1-ol?
The canonical SMILES for 2-[3-(3-fluorophenyl)propyl]isoindol-1-ol is Oc1c2ccccc2cn1CCCc1cccc(F)c1.
What is the InChIKey of 2-[3-(3-fluorophenyl)propyl]isoindol-1-ol?
The InChIKey is NNQYKCXJZUKKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c18-15-8-3-5-13(11-15)6-4-10-19-12-14-7-1-2-9-16(14)17(19)20/h1-3,5,7-9,11-12,20H,4,6,10H2.
What are the key properties of 2-[3-(3-fluorophenyl)propyl]isoindol-1-ol?
2-[3-(3-fluorophenyl)propyl]isoindol-1-ol has a molecular weight of 269.32 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluorophenyl)propyl]isoindol-1-ol is sourced from PubChem (CID 91098205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).