5-bromo-2-[(4-fluoro-3-methylphenyl)methyl]-7-methylisoindol-1-ol

C17H15BrFNO — CID 91156180

IUPAC5-bromo-2-[(4-fluoro-3-methylphenyl)methyl]-7-methylisoindol-1-ol
SMILESCc1cc(Cn2cc3cc(Br)cc(C)c3c2O)ccc1F
InChIInChI=1S/C17H15BrFNO/c1-10-5-12(3-4-15(10)19)8-20-9-13-7-14(18)6-11(2)16(13)17(20)21/h3-7,9,21H,8H2,1-2H3
InChIKeyPGZHGRDZSWDJCB-UHFFFAOYSA-N
MW348.22 g/mol
LogP4.91
Rot. Bonds2

About 5-bromo-2-[(4-fluoro-3-methylphenyl)methyl]-7-methylisoindol-1-ol

5-bromo-2-[(4-fluoro-3-methylphenyl)methyl]-7-methylisoindol-1-ol (PubChem CID 91156180) has the molecular formula C17H15BrFNO and a molecular weight of 348.22 g/mol. Its IUPAC name is 5-bromo-2-[(4-fluoro-3-methylphenyl)methyl]-7-methylisoindol-1-ol.

Molecular Properties

Compound Name5-bromo-2-[(4-fluoro-3-methylphenyl)methyl]-7-methylisoindol-1-ol
PubChem CID91156180
Molecular FormulaC17H15BrFNO
Molecular Weight348.22 g/mol
Exact Mass347.03
IUPAC Name5-bromo-2-[(4-fluoro-3-methylphenyl)methyl]-7-methylisoindol-1-ol
SMILESCc1cc(Cn2cc3cc(Br)cc(C)c3c2O)ccc1F
InChIInChI=1S/C17H15BrFNO/c1-10-5-12(3-4-15(10)19)8-20-9-13-7-14(18)6-11(2)16(13)17(20)21/h3-7,9,21H,8H2,1-2H3
InChIKeyPGZHGRDZSWDJCB-UHFFFAOYSA-N
XLogP4.91
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 54.91
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
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
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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-fluoro-3-methylphenyl)methyl]-7-methylisoindol-1-ol?
The IUPAC name of 5-bromo-2-[(4-fluoro-3-methylphenyl)methyl]-7-methylisoindol-1-ol (CID 91156180) is 5-bromo-2-[(4-fluoro-3-methylphenyl)methyl]-7-methylisoindol-1-ol.
What is the SMILES notation for 5-bromo-2-[(4-fluoro-3-methylphenyl)methyl]-7-methylisoindol-1-ol?
The canonical SMILES for 5-bromo-2-[(4-fluoro-3-methylphenyl)methyl]-7-methylisoindol-1-ol is Cc1cc(Cn2cc3cc(Br)cc(C)c3c2O)ccc1F.
What is the InChIKey of 5-bromo-2-[(4-fluoro-3-methylphenyl)methyl]-7-methylisoindol-1-ol?
The InChIKey is PGZHGRDZSWDJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFNO/c1-10-5-12(3-4-15(10)19)8-20-9-13-7-14(18)6-11(2)16(13)17(20)21/h3-7,9,21H,8H2,1-2H3.
What are the key properties of 5-bromo-2-[(4-fluoro-3-methylphenyl)methyl]-7-methylisoindol-1-ol?
5-bromo-2-[(4-fluoro-3-methylphenyl)methyl]-7-methylisoindol-1-ol has a molecular weight of 348.22 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(4-fluoro-3-methylphenyl)methyl]-7-methylisoindol-1-ol is sourced from PubChem (CID 91156180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).