1-(2,5-dimethylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol

C19H25NO — CID 63464982

IUPAC1-(2,5-dimethylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
SMILESCc1ccc(C)c(-n2c(C)cc3c2CC(C)(C)CC3O)c1
InChIInChI=1S/C19H25NO/c1-12-6-7-13(2)16(8-12)20-14(3)9-15-17(20)10-19(4,5)11-18(15)21/h6-9,18,21H,10-11H2,1-5H3
InChIKeyGAFXYULKFBGFHB-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.41
Rot. Bonds1

About 1-(2,5-dimethylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol

1-(2,5-dimethylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol (PubChem CID 63464982) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
PubChem CID63464982
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-(2,5-dimethylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
SMILESCc1ccc(C)c(-n2c(C)cc3c2CC(C)(C)CC3O)c1
InChIInChI=1S/C19H25NO/c1-12-6-7-13(2)16(8-12)20-14(3)9-15-17(20)10-19(4,5)11-18(15)21/h6-9,18,21H,10-11H2,1-5H3
InChIKeyGAFXYULKFBGFHB-UHFFFAOYSA-N
XLogP4.41
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,5-dimethylphenyl)-2,6,6-trimethyl-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-(2,5-dimethylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol?
The IUPAC name of 1-(2,5-dimethylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol (CID 63464982) is 1-(2,5-dimethylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol is Cc1ccc(C)c(-n2c(C)cc3c2CC(C)(C)CC3O)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol?
The InChIKey is GAFXYULKFBGFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-12-6-7-13(2)16(8-12)20-14(3)9-15-17(20)10-19(4,5)11-18(15)21/h6-9,18,21H,10-11H2,1-5H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol?
1-(2,5-dimethylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol has a molecular weight of 283.42 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol is sourced from PubChem (CID 63464982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).