5-bromo-2-[(1R)-1-(4-fluorophenyl)ethyl]-7-methylisoindol-1-ol

C17H15BrFNO — CID 90761158

IUPAC5-bromo-2-[(1R)-1-(4-fluorophenyl)ethyl]-7-methylisoindol-1-ol
SMILESCc1cc(Br)cc2cn([C@H](C)c3ccc(F)cc3)c(O)c12
InChIInChI=1S/C17H15BrFNO/c1-10-7-14(18)8-13-9-20(17(21)16(10)13)11(2)12-3-5-15(19)6-4-12/h3-9,11,21H,1-2H3/t11-/m1/s1
InChIKeyMDSYOXALXFAYKZ-LLVKDONJSA-N
MW348.22 g/mol
LogP5.17
Rot. Bonds2

About 5-bromo-2-[(1R)-1-(4-fluorophenyl)ethyl]-7-methylisoindol-1-ol

5-bromo-2-[(1R)-1-(4-fluorophenyl)ethyl]-7-methylisoindol-1-ol (PubChem CID 90761158) has the molecular formula C17H15BrFNO and a molecular weight of 348.22 g/mol. Its IUPAC name is 5-bromo-2-[(1R)-1-(4-fluorophenyl)ethyl]-7-methylisoindol-1-ol.

Molecular Properties

Compound Name5-bromo-2-[(1R)-1-(4-fluorophenyl)ethyl]-7-methylisoindol-1-ol
PubChem CID90761158
Molecular FormulaC17H15BrFNO
Molecular Weight348.22 g/mol
Exact Mass347.03
IUPAC Name5-bromo-2-[(1R)-1-(4-fluorophenyl)ethyl]-7-methylisoindol-1-ol
SMILESCc1cc(Br)cc2cn([C@H](C)c3ccc(F)cc3)c(O)c12
InChIInChI=1S/C17H15BrFNO/c1-10-7-14(18)8-13-9-20(17(21)16(10)13)11(2)12-3-5-15(19)6-4-12/h3-9,11,21H,1-2H3/t11-/m1/s1
InChIKeyMDSYOXALXFAYKZ-LLVKDONJSA-N
XLogP5.17
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.22
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-Chlorophenyl)methyl]-5-fluoro-7-methylisoindol-1-ol
CID 90687564
5-Bromo-2-[[4-(3-fluorophenoxy)phenyl]methyl]-7-methylisoindol-1-ol
CID 90700900
6-Fluoro-2-[(4-fluorophenyl)methyl]-7-methylisoindol-1-ol
CID 90705871
2-[(4-Fluorophenyl)methyl]-7-iodoisoindol-1-ol
CID 90733817
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
7-Bromo-2-[3-(3-fluorophenyl)propyl]isoindol-1-ol
CID 90831098
2-(Cyclopropylmethyl)-5-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methylisoindol-1-ol
CID 90838048
4-[(5-Fluoro-1-hydroxy-7-methylisoindol-2-yl)methyl]benzonitrile
CID 90838411

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(1R)-1-(4-fluorophenyl)ethyl]-7-methylisoindol-1-ol?
The IUPAC name of 5-bromo-2-[(1R)-1-(4-fluorophenyl)ethyl]-7-methylisoindol-1-ol (CID 90761158) is 5-bromo-2-[(1R)-1-(4-fluorophenyl)ethyl]-7-methylisoindol-1-ol.
What is the SMILES notation for 5-bromo-2-[(1R)-1-(4-fluorophenyl)ethyl]-7-methylisoindol-1-ol?
The canonical SMILES for 5-bromo-2-[(1R)-1-(4-fluorophenyl)ethyl]-7-methylisoindol-1-ol is Cc1cc(Br)cc2cn([C@H](C)c3ccc(F)cc3)c(O)c12.
What is the InChIKey of 5-bromo-2-[(1R)-1-(4-fluorophenyl)ethyl]-7-methylisoindol-1-ol?
The InChIKey is MDSYOXALXFAYKZ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H15BrFNO/c1-10-7-14(18)8-13-9-20(17(21)16(10)13)11(2)12-3-5-15(19)6-4-12/h3-9,11,21H,1-2H3/t11-/m1/s1.
What are the key properties of 5-bromo-2-[(1R)-1-(4-fluorophenyl)ethyl]-7-methylisoindol-1-ol?
5-bromo-2-[(1R)-1-(4-fluorophenyl)ethyl]-7-methylisoindol-1-ol has a molecular weight of 348.22 g/mol, XLogP of 5.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(1R)-1-(4-fluorophenyl)ethyl]-7-methylisoindol-1-ol is sourced from PubChem (CID 90761158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).