1-(5-bromo-4-fluoro-2-methylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol

C16H17BrFNO — CID 107593884

IUPAC1-(5-bromo-4-fluoro-2-methylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol
SMILESCc1cc(F)c(Br)cc1-n1c(C)cc2c1CCCC2O
InChIInChI=1S/C16H17BrFNO/c1-9-6-13(18)12(17)8-15(9)19-10(2)7-11-14(19)4-3-5-16(11)20/h6-8,16,20H,3-5H2,1-2H3
InChIKeyAIQVQZMQDGMFDQ-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.37
Rot. Bonds1

About 1-(5-bromo-4-fluoro-2-methylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol

1-(5-bromo-4-fluoro-2-methylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol (PubChem CID 107593884) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 1-(5-bromo-4-fluoro-2-methylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol.

Molecular Properties

Compound Name1-(5-bromo-4-fluoro-2-methylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol
PubChem CID107593884
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name1-(5-bromo-4-fluoro-2-methylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol
SMILESCc1cc(F)c(Br)cc1-n1c(C)cc2c1CCCC2O
InChIInChI=1S/C16H17BrFNO/c1-9-6-13(18)12(17)8-15(9)19-10(2)7-11-14(19)4-3-5-16(11)20/h6-8,16,20H,3-5H2,1-2H3
InChIKeyAIQVQZMQDGMFDQ-UHFFFAOYSA-N
XLogP4.37
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

[3-[5-(4-Bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]methanol
CID 135367991
1-(3-bromo-5-fluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol
CID 162383475
(4S)-2-bromo-1-(3,5-difluorophenyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol
CID 162383482
(3S)-7-bromo-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-ol
CID 166711607
1-[6-Bromo-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethanol
CID 170041480
2-(6-Bromo-4-fluoro-1-propan-2-ylindol-2-yl)propan-2-ol
CID 172389651
[1-(4-bromobenzyl)-2-methyl-1H-indol-3-yl]methanol
CID 955521
1-(4-fluorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 13522600
1-(3-Fluoro-4-methylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol
CID 61970871
2-Methyl-1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-ol
CID 61971092
1-[1-(3-Fluorophenyl)ethyl]-2-methyl-4,5,6,7-tetrahydroindol-4-ol
CID 61971117
1-(4-Fluorophenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol
CID 61971259

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol?
The IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol (CID 107593884) is 1-(5-bromo-4-fluoro-2-methylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol.
What is the SMILES notation for 1-(5-bromo-4-fluoro-2-methylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol?
The canonical SMILES for 1-(5-bromo-4-fluoro-2-methylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol is Cc1cc(F)c(Br)cc1-n1c(C)cc2c1CCCC2O.
What is the InChIKey of 1-(5-bromo-4-fluoro-2-methylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol?
The InChIKey is AIQVQZMQDGMFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-9-6-13(18)12(17)8-15(9)19-10(2)7-11-14(19)4-3-5-16(11)20/h6-8,16,20H,3-5H2,1-2H3.
What are the key properties of 1-(5-bromo-4-fluoro-2-methylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol?
1-(5-bromo-4-fluoro-2-methylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol has a molecular weight of 338.22 g/mol, XLogP of 4.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-fluoro-2-methylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol is sourced from PubChem (CID 107593884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).