2,6-ditert-butyl-4-[(E)-2-thiophen-2-ylethenyl]phenol

C20H26OS — CID 14416570

IUPAC2,6-ditert-butyl-4-[(E)-2-thiophen-2-ylethenyl]phenol
SMILESCC(C)(C)c1cc(/C=C/c2cccs2)cc(C(C)(C)C)c1O
InChIInChI=1S/C20H26OS/c1-19(2,3)16-12-14(9-10-15-8-7-11-22-15)13-17(18(16)21)20(4,5)6/h7-13,21H,1-6H3/b10-9+
InChIKeyCKAKSCVNHQGCEA-MDZDMXLPSA-N
MW314.49 g/mol
LogP6.22
Rot. Bonds2

About 2,6-ditert-butyl-4-[(E)-2-thiophen-2-ylethenyl]phenol

2,6-ditert-butyl-4-[(E)-2-thiophen-2-ylethenyl]phenol (PubChem CID 14416570) has the molecular formula C20H26OS and a molecular weight of 314.49 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[(E)-2-thiophen-2-ylethenyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[(E)-2-thiophen-2-ylethenyl]phenol
PubChem CID14416570
Molecular FormulaC20H26OS
Molecular Weight314.49 g/mol
Exact Mass314.17
IUPAC Name2,6-ditert-butyl-4-[(E)-2-thiophen-2-ylethenyl]phenol
SMILESCC(C)(C)c1cc(/C=C/c2cccs2)cc(C(C)(C)C)c1O
InChIInChI=1S/C20H26OS/c1-19(2,3)16-12-14(9-10-15-8-7-11-22-15)13-17(18(16)21)20(4,5)6/h7-13,21H,1-6H3/b10-9+
InChIKeyCKAKSCVNHQGCEA-MDZDMXLPSA-N
XLogP6.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.49
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-6-methyl-4-(2-thiophen-2-ylethenyl)phenol
CID 54060041
2-tert-butyl-4-[(E)-2-(3-tert-butyl-4-hydroxy-5-methylphenyl)ethenyl]-6-methylphenol
CID 22321426
4-[(E)-2-thiophen-2-ylethenyl]pyridine
CID 10932177
(E)-2-thiophen-2-ylethenol
CID 89297537
(E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoic acid
CID 689095
N-ethyl-4-[(E)-2-thiophen-2-ylethenyl]aniline
CID 89344655
CID 102049167
CID 102049167
2-[(E)-2-(4-fluorophenyl)ethenyl]thiophene
CID 101247141
2,4-ditert-butyl-6-thiophen-2-ylphenol
CID 89393414
(E)-4,4-dimethyl-1-thiophen-2-ylpent-1-en-3-one
CID 14044638
3-tert-butyl-2-[(E)-2-phenylethenyl]thiophene
CID 11218731
2,6-ditert-butyl-4-[(Z)-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135909999

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[(E)-2-thiophen-2-ylethenyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[(E)-2-thiophen-2-ylethenyl]phenol (CID 14416570) is 2,6-ditert-butyl-4-[(E)-2-thiophen-2-ylethenyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[(E)-2-thiophen-2-ylethenyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[(E)-2-thiophen-2-ylethenyl]phenol is CC(C)(C)c1cc(/C=C/c2cccs2)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,6-ditert-butyl-4-[(E)-2-thiophen-2-ylethenyl]phenol?
The InChIKey is CKAKSCVNHQGCEA-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H26OS/c1-19(2,3)16-12-14(9-10-15-8-7-11-22-15)13-17(18(16)21)20(4,5)6/h7-13,21H,1-6H3/b10-9+.
What are the key properties of 2,6-ditert-butyl-4-[(E)-2-thiophen-2-ylethenyl]phenol?
2,6-ditert-butyl-4-[(E)-2-thiophen-2-ylethenyl]phenol has a molecular weight of 314.49 g/mol, XLogP of 6.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[(E)-2-thiophen-2-ylethenyl]phenol is sourced from PubChem (CID 14416570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).