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

C17H15BrFNO — CID 90831098

IUPAC7-bromo-2-[3-(3-fluorophenyl)propyl]isoindol-1-ol
SMILESOc1c2c(Br)cccc2cn1CCCc1cccc(F)c1
InChIInChI=1S/C17H15BrFNO/c18-15-8-2-6-13-11-20(17(21)16(13)15)9-3-5-12-4-1-7-14(19)10-12/h1-2,4,6-8,10-11,21H,3,5,9H2
InChIKeySYNSEVZLLMZGCH-UHFFFAOYSA-N
MW348.21 g/mol
LogP4.88
Rot. Bonds4

About 7-bromo-2-[3-(3-fluorophenyl)propyl]isoindol-1-ol

7-bromo-2-[3-(3-fluorophenyl)propyl]isoindol-1-ol (PubChem CID 90831098) has the molecular formula C17H15BrFNO and a molecular weight of 348.21 g/mol. Its IUPAC name is 7-bromo-2-[3-(3-fluorophenyl)propyl]isoindol-1-ol.

Molecular Properties

Compound Name7-bromo-2-[3-(3-fluorophenyl)propyl]isoindol-1-ol
PubChem CID90831098
Molecular FormulaC17H15BrFNO
Molecular Weight348.21 g/mol
Exact Mass347.03
IUPAC Name7-bromo-2-[3-(3-fluorophenyl)propyl]isoindol-1-ol
SMILESOc1c2c(Br)cccc2cn1CCCc1cccc(F)c1
InChIInChI=1S/C17H15BrFNO/c18-15-8-2-6-13-11-20(17(21)16(13)15)9-3-5-12-4-1-7-14(19)10-12/h1-2,4,6-8,10-11,21H,3,5,9H2
InChIKeySYNSEVZLLMZGCH-UHFFFAOYSA-N
XLogP4.88
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.21
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[5-Bromo-3-(4-fluorophenyl)indol-1-yl]phenol
CID 132576644
6-Fluoro-2-[(4-fluorophenyl)methyl]-7-methylisoindol-1-ol
CID 90705871
2-[(4-Fluorophenyl)methyl]-7-iodoisoindol-1-ol
CID 90733817
5-bromo-2-[(1R)-1-(4-fluorophenyl)ethyl]-7-methylisoindol-1-ol
CID 90761158
2-[[4-(Trifluoromethyl)phenyl]methyl]isoindol-1-ol
CID 90773222
2-(3-Bromo-2-methylphenyl)-6-fluoroisoindol-1-ol
CID 90782600
2-[3-(2,4-Difluorophenyl)propyl]isoindol-1-ol
CID 90794714
2-Benzyl-6-fluoroisoindol-1-ol
CID 90795823
2-[3-[3-(Trifluoromethyl)phenyl]propyl]isoindol-1-ol
CID 90805338
4-[(5-Fluoro-1-hydroxy-7-methylisoindol-2-yl)methyl]benzonitrile
CID 90838411
5-Fluoro-7-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol
CID 90878820
5-Fluoro-7-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol
CID 90893129

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[3-(3-fluorophenyl)propyl]isoindol-1-ol?
The IUPAC name of 7-bromo-2-[3-(3-fluorophenyl)propyl]isoindol-1-ol (CID 90831098) is 7-bromo-2-[3-(3-fluorophenyl)propyl]isoindol-1-ol.
What is the SMILES notation for 7-bromo-2-[3-(3-fluorophenyl)propyl]isoindol-1-ol?
The canonical SMILES for 7-bromo-2-[3-(3-fluorophenyl)propyl]isoindol-1-ol is Oc1c2c(Br)cccc2cn1CCCc1cccc(F)c1.
What is the InChIKey of 7-bromo-2-[3-(3-fluorophenyl)propyl]isoindol-1-ol?
The InChIKey is SYNSEVZLLMZGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFNO/c18-15-8-2-6-13-11-20(17(21)16(13)15)9-3-5-12-4-1-7-14(19)10-12/h1-2,4,6-8,10-11,21H,3,5,9H2.
What are the key properties of 7-bromo-2-[3-(3-fluorophenyl)propyl]isoindol-1-ol?
7-bromo-2-[3-(3-fluorophenyl)propyl]isoindol-1-ol has a molecular weight of 348.21 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[3-(3-fluorophenyl)propyl]isoindol-1-ol is sourced from PubChem (CID 90831098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).