1-(2-bromo-4-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol

C17H20BrNO — CID 63466784

IUPAC1-(2-bromo-4-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol
SMILESCc1ccc(-n2ccc3c2CC(C)(C)CC3O)c(Br)c1
InChIInChI=1S/C17H20BrNO/c1-11-4-5-14(13(18)8-11)19-7-6-12-15(19)9-17(2,3)10-16(12)20/h4-8,16,20H,9-10H2,1-3H3
InChIKeyDBJJSWQJCRBVRZ-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.55
Rot. Bonds1

About 1-(2-bromo-4-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol

1-(2-bromo-4-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol (PubChem CID 63466784) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol
PubChem CID63466784
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name1-(2-bromo-4-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol
SMILESCc1ccc(-n2ccc3c2CC(C)(C)CC3O)c(Br)c1
InChIInChI=1S/C17H20BrNO/c1-11-4-5-14(13(18)8-11)19-7-6-12-15(19)9-17(2,3)10-16(12)20/h4-8,16,20H,9-10H2,1-3H3
InChIKeyDBJJSWQJCRBVRZ-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-(2-bromo-4-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol with MolForge

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Related Compounds

1-(4-bromo-3-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol
CID 63466415
5-bromo-2-(4-hydroxy-6,6-dimethyl-5,7-dihydro-4H-indol-1-yl)benzonitrile
CID 82696853
1-(2-chloro-4-iodophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol
CID 107605985
1-(2,4-dibromophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
CID 63464845
6,6-dimethyl-1-(2-propan-2-ylphenyl)-5,7-dihydro-4H-indol-4-ol
CID 63466062
1-(3-iodophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol
CID 63464993
1-(2,5-dimethylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 63464982
6,6-dimethyl-1-(2,2,3,3-tetramethylcyclopropyl)-5,7-dihydro-4H-indol-4-ol
CID 79362807
6,6-dimethyl-1-(2-methylcyclopropyl)-5,7-dihydro-4H-indol-4-ol
CID 62408649
1-cyclooctyl-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol
CID 63466233
1-(2-bromo-4,6-difluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
CID 63466270
1-(2-chlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 63465888

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol (CID 63466784) is 1-(2-bromo-4-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol is Cc1ccc(-n2ccc3c2CC(C)(C)CC3O)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol?
The InChIKey is DBJJSWQJCRBVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-11-4-5-14(13(18)8-11)19-7-6-12-15(19)9-17(2,3)10-16(12)20/h4-8,16,20H,9-10H2,1-3H3.
What are the key properties of 1-(2-bromo-4-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol?
1-(2-bromo-4-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-(2-bromo-4-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol is sourced from PubChem (CID 63466784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).