2,6-ditert-butyl-4-[2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenol

C20H27NO2 — CID 135994946

IUPAC2,6-ditert-butyl-4-[2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenol
SMILESCc1cc(C=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)on1
InChIInChI=1S/C20H27NO2/c1-13-10-15(23-21-13)9-8-14-11-16(19(2,3)4)18(22)17(12-14)20(5,6)7/h8-12,22H,1-7H3
InChIKeyDHCYTSABKOYFHB-UHFFFAOYSA-N
MW313.44 g/mol
LogP5.45
Rot. Bonds2

About 2,6-ditert-butyl-4-[2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenol

2,6-ditert-butyl-4-[2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenol (PubChem CID 135994946) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenol
PubChem CID135994946
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name2,6-ditert-butyl-4-[2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenol
SMILESCc1cc(C=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)on1
InChIInChI=1S/C20H27NO2/c1-13-10-15(23-21-13)9-8-14-11-16(19(2,3)4)18(22)17(12-14)20(5,6)7/h8-12,22H,1-7H3
InChIKeyDHCYTSABKOYFHB-UHFFFAOYSA-N
XLogP5.45
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.44
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenol (CID 135994946) is 2,6-ditert-butyl-4-[2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenol is Cc1cc(C=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)on1.
What is the InChIKey of 2,6-ditert-butyl-4-[2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenol?
The InChIKey is DHCYTSABKOYFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-13-10-15(23-21-13)9-8-14-11-16(19(2,3)4)18(22)17(12-14)20(5,6)7/h8-12,22H,1-7H3.
What are the key properties of 2,6-ditert-butyl-4-[2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenol?
2,6-ditert-butyl-4-[2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenol has a molecular weight of 313.44 g/mol, XLogP of 5.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenol is sourced from PubChem (CID 135994946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).