1-(4-fluoro-3-methylphenyl)-4,5,6,7-tetrahydroindol-4-ol

C15H16FNO — CID 62813453

IUPAC1-(4-fluoro-3-methylphenyl)-4,5,6,7-tetrahydroindol-4-ol
SMILESCc1cc(-n2ccc3c2CCCC3O)ccc1F
InChIInChI=1S/C15H16FNO/c1-10-9-11(5-6-13(10)16)17-8-7-12-14(17)3-2-4-15(12)18/h5-9,15,18H,2-4H2,1H3
InChIKeyZEXOZIIJOALVLK-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.29
Rot. Bonds1

About 1-(4-fluoro-3-methylphenyl)-4,5,6,7-tetrahydroindol-4-ol

1-(4-fluoro-3-methylphenyl)-4,5,6,7-tetrahydroindol-4-ol (PubChem CID 62813453) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-4,5,6,7-tetrahydroindol-4-ol.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-4,5,6,7-tetrahydroindol-4-ol
PubChem CID62813453
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name1-(4-fluoro-3-methylphenyl)-4,5,6,7-tetrahydroindol-4-ol
SMILESCc1cc(-n2ccc3c2CCCC3O)ccc1F
InChIInChI=1S/C15H16FNO/c1-10-9-11(5-6-13(10)16)17-8-7-12-14(17)3-2-4-15(12)18/h5-9,15,18H,2-4H2,1H3
InChIKeyZEXOZIIJOALVLK-UHFFFAOYSA-N
XLogP3.29
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluoro-3-methylphenyl)-4,5,6,7-tetrahydroindol-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-4,5,6,7-tetrahydroindol-4-ol?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-4,5,6,7-tetrahydroindol-4-ol (CID 62813453) is 1-(4-fluoro-3-methylphenyl)-4,5,6,7-tetrahydroindol-4-ol.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-4,5,6,7-tetrahydroindol-4-ol?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-4,5,6,7-tetrahydroindol-4-ol is Cc1cc(-n2ccc3c2CCCC3O)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-4,5,6,7-tetrahydroindol-4-ol?
The InChIKey is ZEXOZIIJOALVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-10-9-11(5-6-13(10)16)17-8-7-12-14(17)3-2-4-15(12)18/h5-9,15,18H,2-4H2,1H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-4,5,6,7-tetrahydroindol-4-ol?
1-(4-fluoro-3-methylphenyl)-4,5,6,7-tetrahydroindol-4-ol has a molecular weight of 245.30 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-4,5,6,7-tetrahydroindol-4-ol is sourced from PubChem (CID 62813453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).