2-(3-bromo-2-methylphenyl)-6-fluoroisoindol-1-ol

C15H11BrFNO — CID 90782600

IUPAC2-(3-bromo-2-methylphenyl)-6-fluoroisoindol-1-ol
SMILESCc1c(Br)cccc1-n1cc2ccc(F)cc2c1O
InChIInChI=1S/C15H11BrFNO/c1-9-13(16)3-2-4-14(9)18-8-10-5-6-11(17)7-12(10)15(18)19/h2-8,19H,1H3
InChIKeyTXHDHPQHPPHLIP-UHFFFAOYSA-N
MW320.16 g/mol
LogP4.55
Rot. Bonds1

About 2-(3-bromo-2-methylphenyl)-6-fluoroisoindol-1-ol

2-(3-bromo-2-methylphenyl)-6-fluoroisoindol-1-ol (PubChem CID 90782600) has the molecular formula C15H11BrFNO and a molecular weight of 320.16 g/mol. Its IUPAC name is 2-(3-bromo-2-methylphenyl)-6-fluoroisoindol-1-ol.

Molecular Properties

Compound Name2-(3-bromo-2-methylphenyl)-6-fluoroisoindol-1-ol
PubChem CID90782600
Molecular FormulaC15H11BrFNO
Molecular Weight320.16 g/mol
Exact Mass319.00
IUPAC Name2-(3-bromo-2-methylphenyl)-6-fluoroisoindol-1-ol
SMILESCc1c(Br)cccc1-n1cc2ccc(F)cc2c1O
InChIInChI=1S/C15H11BrFNO/c1-9-13(16)3-2-4-14(9)18-8-10-5-6-11(17)7-12(10)15(18)19/h2-8,19H,1H3
InChIKeyTXHDHPQHPPHLIP-UHFFFAOYSA-N
XLogP4.55
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.16
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(E)-benzimidazol-5-ylidenemethyl]-4-bromo-1-methylindol-2-ol
CID 177375103
3-[(E)-benzimidazol-5-ylidenemethyl]-4-bromo-1-propan-2-ylindol-2-ol
CID 177375104
4-[5-Bromo-3-(4-fluorophenyl)indol-1-yl]phenol
CID 132576644
3-[(4-Bromophenyl)iminomethyl]-1-methylindol-2-ol
CID 4792831
4-Bromo-1-(2-fluorophenyl)indol-7-ol
CID 68309019
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-[3-(2,4-Difluorophenyl)propyl]isoindol-1-ol
CID 90794714
2-Benzyl-6-fluoroisoindol-1-ol
CID 90795823
7-Bromo-2-[3-(3-fluorophenyl)propyl]isoindol-1-ol
CID 90831098
2-[(4-Fluorophenyl)methyl]isoindol-1-ol
CID 90979896

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylphenyl)-6-fluoroisoindol-1-ol?
The IUPAC name of 2-(3-bromo-2-methylphenyl)-6-fluoroisoindol-1-ol (CID 90782600) is 2-(3-bromo-2-methylphenyl)-6-fluoroisoindol-1-ol.
What is the SMILES notation for 2-(3-bromo-2-methylphenyl)-6-fluoroisoindol-1-ol?
The canonical SMILES for 2-(3-bromo-2-methylphenyl)-6-fluoroisoindol-1-ol is Cc1c(Br)cccc1-n1cc2ccc(F)cc2c1O.
What is the InChIKey of 2-(3-bromo-2-methylphenyl)-6-fluoroisoindol-1-ol?
The InChIKey is TXHDHPQHPPHLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFNO/c1-9-13(16)3-2-4-14(9)18-8-10-5-6-11(17)7-12(10)15(18)19/h2-8,19H,1H3.
What are the key properties of 2-(3-bromo-2-methylphenyl)-6-fluoroisoindol-1-ol?
2-(3-bromo-2-methylphenyl)-6-fluoroisoindol-1-ol has a molecular weight of 320.16 g/mol, XLogP of 4.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methylphenyl)-6-fluoroisoindol-1-ol is sourced from PubChem (CID 90782600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).