6-tert-butyl-4-(3,5-dimethylphenyl)-2-(2,2-dimethylpropyl)-5-methoxy-1H-indene

C27H36O — CID 153438197

IUPAC6-tert-butyl-4-(3,5-dimethylphenyl)-2-(2,2-dimethylpropyl)-5-methoxy-1H-indene
SMILESCOc1c(C(C)(C)C)cc2c(c1-c1cc(C)cc(C)c1)C=C(CC(C)(C)C)C2
InChIInChI=1S/C27H36O/c1-17-10-18(2)12-21(11-17)24-22-14-19(16-26(3,4)5)13-20(22)15-23(25(24)28-9)27(6,7)8/h10-12,14-15H,13,16H2,1-9H3
InChIKeyJQTZNKSKRDIVNF-UHFFFAOYSA-N
MW376.58 g/mol
LogP7.65
Rot. Bonds3

About 6-tert-butyl-4-(3,5-dimethylphenyl)-2-(2,2-dimethylpropyl)-5-methoxy-1H-indene

6-tert-butyl-4-(3,5-dimethylphenyl)-2-(2,2-dimethylpropyl)-5-methoxy-1H-indene (PubChem CID 153438197) has the molecular formula C27H36O and a molecular weight of 376.58 g/mol. Its IUPAC name is 6-tert-butyl-4-(3,5-dimethylphenyl)-2-(2,2-dimethylpropyl)-5-methoxy-1H-indene.

Molecular Properties

Compound Name6-tert-butyl-4-(3,5-dimethylphenyl)-2-(2,2-dimethylpropyl)-5-methoxy-1H-indene
PubChem CID153438197
Molecular FormulaC27H36O
Molecular Weight376.58 g/mol
Exact Mass376.28
IUPAC Name6-tert-butyl-4-(3,5-dimethylphenyl)-2-(2,2-dimethylpropyl)-5-methoxy-1H-indene
SMILESCOc1c(C(C)(C)C)cc2c(c1-c1cc(C)cc(C)c1)C=C(CC(C)(C)C)C2
InChIInChI=1S/C27H36O/c1-17-10-18(2)12-21(11-17)24-22-14-19(16-26(3,4)5)13-20(22)15-23(25(24)28-9)27(6,7)8/h10-12,14-15H,13,16H2,1-9H3
InChIKeyJQTZNKSKRDIVNF-UHFFFAOYSA-N
XLogP7.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.58
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-tert-butyl-4-(3,5-dimethylphenyl)-2-(2,2-dimethylpropyl)-5-methoxy-1H-indene with MolForge

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

Launch Full Analysis

Related Compounds

6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-indene;ethane
CID 144649279
2-butyl-5-tert-butyl-4-(3,5-dimethylphenyl)-1H-indene
CID 87702765
[6-tert-butyl-4-(3,5-dimethylphenyl)-5-methoxy-2-methyl-1H-inden-1-yl]-[4-(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane
CID 153321039
[6-tert-butyl-4-(3,5-ditert-butylphenyl)-5-methoxy-2-methyl-1H-inden-1-yl]-[4-(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane
CID 153406054
[4,8-bis(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-[6-tert-butyl-4-(3,5-dimethylphenyl)-5-methoxy-2-methyl-1H-inden-1-yl]-dimethyl-λ4-sulfane
CID 167284148
2-butyl-4-(3,5-dimethylphenyl)-5-ethyl-1H-indene
CID 87703373
CID 174186069
CID 174186069
1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclopropan-1-ol
CID 117374422
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-methylpropan-1-ol
CID 82297608
1-tert-butyl-3-[2-(4-tert-butylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-methoxy-5-methylbenzene
CID 68742471
4,7-bis(4-tert-butylphenyl)-2-(2,2-dimethylpropyl)-1H-indene
CID 173016294
CID 153406048
CID 153406048

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-(3,5-dimethylphenyl)-2-(2,2-dimethylpropyl)-5-methoxy-1H-indene?
The IUPAC name of 6-tert-butyl-4-(3,5-dimethylphenyl)-2-(2,2-dimethylpropyl)-5-methoxy-1H-indene (CID 153438197) is 6-tert-butyl-4-(3,5-dimethylphenyl)-2-(2,2-dimethylpropyl)-5-methoxy-1H-indene.
What is the SMILES notation for 6-tert-butyl-4-(3,5-dimethylphenyl)-2-(2,2-dimethylpropyl)-5-methoxy-1H-indene?
The canonical SMILES for 6-tert-butyl-4-(3,5-dimethylphenyl)-2-(2,2-dimethylpropyl)-5-methoxy-1H-indene is COc1c(C(C)(C)C)cc2c(c1-c1cc(C)cc(C)c1)C=C(CC(C)(C)C)C2.
What is the InChIKey of 6-tert-butyl-4-(3,5-dimethylphenyl)-2-(2,2-dimethylpropyl)-5-methoxy-1H-indene?
The InChIKey is JQTZNKSKRDIVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36O/c1-17-10-18(2)12-21(11-17)24-22-14-19(16-26(3,4)5)13-20(22)15-23(25(24)28-9)27(6,7)8/h10-12,14-15H,13,16H2,1-9H3.
What are the key properties of 6-tert-butyl-4-(3,5-dimethylphenyl)-2-(2,2-dimethylpropyl)-5-methoxy-1H-indene?
6-tert-butyl-4-(3,5-dimethylphenyl)-2-(2,2-dimethylpropyl)-5-methoxy-1H-indene has a molecular weight of 376.58 g/mol, XLogP of 7.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-(3,5-dimethylphenyl)-2-(2,2-dimethylpropyl)-5-methoxy-1H-indene is sourced from PubChem (CID 153438197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).