6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-indene;ethane

C23H30O — CID 144649279

IUPAC6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-indene;ethane
SMILESCC.COc1c(C(C)(C)C)cc2c(c1-c1ccccc1)C=C(C)C2
InChIInChI=1S/C21H24O.C2H6/c1-14-11-16-13-18(21(2,3)4)20(22-5)19(17(16)12-14)15-9-7-6-8-10-15;1-2/h6-10,12-13H,11H2,1-5H3;1-2H3
InChIKeyVFXMIEUMWMHGGN-UHFFFAOYSA-N
MW322.49 g/mol
LogP6.65
Rot. Bonds2

About 6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-indene;ethane

6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-indene;ethane (PubChem CID 144649279) has the molecular formula C23H30O and a molecular weight of 322.49 g/mol. Its IUPAC name is 6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-indene;ethane.

Molecular Properties

Compound Name6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-indene;ethane
PubChem CID144649279
Molecular FormulaC23H30O
Molecular Weight322.49 g/mol
Exact Mass322.23
IUPAC Name6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-indene;ethane
SMILESCC.COc1c(C(C)(C)C)cc2c(c1-c1ccccc1)C=C(C)C2
InChIInChI=1S/C21H24O.C2H6/c1-14-11-16-13-18(21(2,3)4)20(22-5)19(17(16)12-14)15-9-7-6-8-10-15;1-2/h6-10,12-13H,11H2,1-5H3;1-2H3
InChIKeyVFXMIEUMWMHGGN-UHFFFAOYSA-N
XLogP6.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.49
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-tert-butyl-4-(3,5-dimethylphenyl)-2-(2,2-dimethylpropyl)-5-methoxy-1H-indene
CID 153438197
(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-chloro-dimethylsilane
CID 71231037
4-(3,5-ditert-butyl-4-methoxyphenyl)-2-methyl-1H-indene;dichlorozirconium
CID 174797016
2-(bromomethyl)-1-[2-(bromomethyl)-5-tert-butyl-4-methoxy-3-(4-phenylphenyl)phenyl]-5-tert-butyl-4-methoxy-3-(4-phenylphenyl)benzene
CID 101253495
6-tert-butyl-5-methoxy-2-methyl-4-phenyl-2,3-dihydro-1H-indene;dichlorozirconium
CID 175061858
(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-3H-inden-1-yl)-chloro-dimethyl-λ4-sulfane
CID 144607670
2,5-dimethyl-4-phenyl-1H-indene
CID 173229793
[6-tert-butyl-4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-yl]-(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-dimethylsilane
CID 71231056
CID 151455776
CID 151455776
(6-tert-butyl-2,5-dimethyl-4-phenyl-1H-inden-1-yl)-chloro-dimethylsilane;(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-[4-(3,5-ditert-butylphenyl)-2,7-dimethyl-1H-inden-1-yl]-dimethylsilane;7-(3,5-ditert-butylphenyl)-4-methoxy-2-methyl-1H-indene
CID 158797968
N-[6-tert-butyl-4-(4-tert-butylphenyl)-5-methoxy-2-methyl-1H-inden-1-yl]-4-(4-tert-butylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-amine
CID 146539485
1,2,4,5-tetramethoxy-3-methyl-6-phenylbenzene
CID 90709146

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-indene;ethane?
The IUPAC name of 6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-indene;ethane (CID 144649279) is 6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-indene;ethane.
What is the SMILES notation for 6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-indene;ethane?
The canonical SMILES for 6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-indene;ethane is CC.COc1c(C(C)(C)C)cc2c(c1-c1ccccc1)C=C(C)C2.
What is the InChIKey of 6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-indene;ethane?
The InChIKey is VFXMIEUMWMHGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O.C2H6/c1-14-11-16-13-18(21(2,3)4)20(22-5)19(17(16)12-14)15-9-7-6-8-10-15;1-2/h6-10,12-13H,11H2,1-5H3;1-2H3.
What are the key properties of 6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-indene;ethane?
6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-indene;ethane has a molecular weight of 322.49 g/mol, XLogP of 6.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-indene;ethane is sourced from PubChem (CID 144649279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).