1-(4-bromo-3-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol

C17H20BrNO — CID 63466415

IUPAC1-(4-bromo-3-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol
SMILESCc1cc(-n2ccc3c2CC(C)(C)CC3O)ccc1Br
InChIInChI=1S/C17H20BrNO/c1-11-8-12(4-5-14(11)18)19-7-6-13-15(19)9-17(2,3)10-16(13)20/h4-8,16,20H,9-10H2,1-3H3
InChIKeyQPTFMXXLZDWYRB-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.55
Rot. Bonds1

About 1-(4-bromo-3-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol

1-(4-bromo-3-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol (PubChem CID 63466415) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol
PubChem CID63466415
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name1-(4-bromo-3-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol
SMILESCc1cc(-n2ccc3c2CC(C)(C)CC3O)ccc1Br
InChIInChI=1S/C17H20BrNO/c1-11-8-12(4-5-14(11)18)19-7-6-13-15(19)9-17(2,3)10-16(13)20/h4-8,16,20H,9-10H2,1-3H3
InChIKeyQPTFMXXLZDWYRB-UHFFFAOYSA-N
XLogP4.55
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-3-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-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-bromo-3-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol (CID 63466415) is 1-(4-bromo-3-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol is Cc1cc(-n2ccc3c2CC(C)(C)CC3O)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol?
The InChIKey is QPTFMXXLZDWYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-11-8-12(4-5-14(11)18)19-7-6-13-15(19)9-17(2,3)10-16(13)20/h4-8,16,20H,9-10H2,1-3H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol?
1-(4-bromo-3-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol has a molecular weight of 334.26 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 1-(4-bromo-3-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol is sourced from PubChem (CID 63466415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).