1-[2-(3-tert-butyl-2,5-dimethoxyphenyl)ethyl]-1H-indene

C23H28O2 — CID 139965056

IUPAC1-[2-(3-tert-butyl-2,5-dimethoxyphenyl)ethyl]-1H-indene
SMILESCOc1cc(CCC2C=Cc3ccccc32)c(OC)c(C(C)(C)C)c1
InChIInChI=1S/C23H28O2/c1-23(2,3)21-15-19(24-4)14-18(22(21)25-5)13-12-17-11-10-16-8-6-7-9-20(16)17/h6-11,14-15,17H,12-13H2,1-5H3
InChIKeyDQTIIAKUKXEDHT-UHFFFAOYSA-N
MW336.48 g/mol
LogP5.74
Rot. Bonds5

About 1-[2-(3-tert-butyl-2,5-dimethoxyphenyl)ethyl]-1H-indene

1-[2-(3-tert-butyl-2,5-dimethoxyphenyl)ethyl]-1H-indene (PubChem CID 139965056) has the molecular formula C23H28O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-[2-(3-tert-butyl-2,5-dimethoxyphenyl)ethyl]-1H-indene.

Molecular Properties

Compound Name1-[2-(3-tert-butyl-2,5-dimethoxyphenyl)ethyl]-1H-indene
PubChem CID139965056
Molecular FormulaC23H28O2
Molecular Weight336.48 g/mol
Exact Mass336.21
IUPAC Name1-[2-(3-tert-butyl-2,5-dimethoxyphenyl)ethyl]-1H-indene
SMILESCOc1cc(CCC2C=Cc3ccccc32)c(OC)c(C(C)(C)C)c1
InChIInChI=1S/C23H28O2/c1-23(2,3)21-15-19(24-4)14-18(22(21)25-5)13-12-17-11-10-16-8-6-7-9-20(16)17/h6-11,14-15,17H,12-13H2,1-5H3
InChIKeyDQTIIAKUKXEDHT-UHFFFAOYSA-N
XLogP5.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-ditert-butyl-4-methoxyphenyl) (1S,2S)-2-butyl-1,2-dihydronaphthalene-1-carboxylate
CID 14532284
1-tert-butyl-2,5-dimethoxy-3-[2-(3-methylcyclopenta-1,3-dien-1-yl)ethyl]benzene
CID 139965018
N-[(3-tert-butyl-2,5-dimethoxyphenyl)methyl]hydroxylamine
CID 117351391
lithium (Z)-(2,6-ditert-butyl-4-methoxyphenoxy)-[(1R)-1-phenyl-1H-naphthalen-2-ylidene]methanolate
CID 134873666
1-[2-(1H-inden-1-yl)ethyl]-1H-indene;propane;zirconium
CID 162275229
(3-tert-butyl-2,5-dimethoxyphenyl)methyl-chloro-dimethylsilane
CID 139965190
1-butyl-1H-indene;zirconium
CID 175289141
1-[[2-(1H-inden-1-ylmethyl)-4,5-dimethylphenyl]methyl]-1H-indene
CID 167430736
2-[2-(1H-inden-1-yl)ethyl]pyridine
CID 86760872
dichloro-[2-(1H-inden-1-yl)ethyl]silane
CID 137328288
3-[(3-tert-butyl-2,5-dimethoxyphenyl)methyl]piperidine
CID 117470959
CID 162143943
CID 162143943

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-tert-butyl-2,5-dimethoxyphenyl)ethyl]-1H-indene?
The IUPAC name of 1-[2-(3-tert-butyl-2,5-dimethoxyphenyl)ethyl]-1H-indene (CID 139965056) is 1-[2-(3-tert-butyl-2,5-dimethoxyphenyl)ethyl]-1H-indene.
What is the SMILES notation for 1-[2-(3-tert-butyl-2,5-dimethoxyphenyl)ethyl]-1H-indene?
The canonical SMILES for 1-[2-(3-tert-butyl-2,5-dimethoxyphenyl)ethyl]-1H-indene is COc1cc(CCC2C=Cc3ccccc32)c(OC)c(C(C)(C)C)c1.
What is the InChIKey of 1-[2-(3-tert-butyl-2,5-dimethoxyphenyl)ethyl]-1H-indene?
The InChIKey is DQTIIAKUKXEDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O2/c1-23(2,3)21-15-19(24-4)14-18(22(21)25-5)13-12-17-11-10-16-8-6-7-9-20(16)17/h6-11,14-15,17H,12-13H2,1-5H3.
What are the key properties of 1-[2-(3-tert-butyl-2,5-dimethoxyphenyl)ethyl]-1H-indene?
1-[2-(3-tert-butyl-2,5-dimethoxyphenyl)ethyl]-1H-indene has a molecular weight of 336.48 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-tert-butyl-2,5-dimethoxyphenyl)ethyl]-1H-indene is sourced from PubChem (CID 139965056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).