2-(3,5-ditert-butyl-2-methoxyphenyl)thiophene

C19H26OS — CID 118119685

IUPAC2-(3,5-ditert-butyl-2-methoxyphenyl)thiophene
SMILESCOc1c(-c2cccs2)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C19H26OS/c1-18(2,3)13-11-14(16-9-8-10-21-16)17(20-7)15(12-13)19(4,5)6/h8-12H,1-7H3
InChIKeyYSYUTVDLJGSHCF-UHFFFAOYSA-N
MW302.48 g/mol
LogP6.02
Rot. Bonds2

About 2-(3,5-ditert-butyl-2-methoxyphenyl)thiophene

2-(3,5-ditert-butyl-2-methoxyphenyl)thiophene (PubChem CID 118119685) has the molecular formula C19H26OS and a molecular weight of 302.48 g/mol. Its IUPAC name is 2-(3,5-ditert-butyl-2-methoxyphenyl)thiophene.

Molecular Properties

Compound Name2-(3,5-ditert-butyl-2-methoxyphenyl)thiophene
PubChem CID118119685
Molecular FormulaC19H26OS
Molecular Weight302.48 g/mol
Exact Mass302.17
IUPAC Name2-(3,5-ditert-butyl-2-methoxyphenyl)thiophene
SMILESCOc1c(-c2cccs2)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C19H26OS/c1-18(2,3)13-11-14(16-9-8-10-21-16)17(20-7)15(12-13)19(4,5)6/h8-12H,1-7H3
InChIKeyYSYUTVDLJGSHCF-UHFFFAOYSA-N
XLogP6.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.48
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-ditert-butyl-2-methoxyphenyl)thiophene?
The IUPAC name of 2-(3,5-ditert-butyl-2-methoxyphenyl)thiophene (CID 118119685) is 2-(3,5-ditert-butyl-2-methoxyphenyl)thiophene.
What is the SMILES notation for 2-(3,5-ditert-butyl-2-methoxyphenyl)thiophene?
The canonical SMILES for 2-(3,5-ditert-butyl-2-methoxyphenyl)thiophene is COc1c(-c2cccs2)cc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of 2-(3,5-ditert-butyl-2-methoxyphenyl)thiophene?
The InChIKey is YSYUTVDLJGSHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26OS/c1-18(2,3)13-11-14(16-9-8-10-21-16)17(20-7)15(12-13)19(4,5)6/h8-12H,1-7H3.
What are the key properties of 2-(3,5-ditert-butyl-2-methoxyphenyl)thiophene?
2-(3,5-ditert-butyl-2-methoxyphenyl)thiophene has a molecular weight of 302.48 g/mol, XLogP of 6.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-ditert-butyl-2-methoxyphenyl)thiophene is sourced from PubChem (CID 118119685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).