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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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).