2,6-ditert-butyl-4-(2-phenyl-1-benzofuran-3-yl)phenol

C28H30O2 — CID 12618650

IUPAC2,6-ditert-butyl-4-(2-phenyl-1-benzofuran-3-yl)phenol
SMILESCC(C)(C)c1cc(-c2c(-c3ccccc3)oc3ccccc23)cc(C(C)(C)C)c1O
InChIInChI=1S/C28H30O2/c1-27(2,3)21-16-19(17-22(25(21)29)28(4,5)6)24-20-14-10-11-15-23(20)30-26(24)18-12-8-7-9-13-18/h7-17,29H,1-6H3
InChIKeyYRZGQFZJEZRVDI-UHFFFAOYSA-N
MW398.55 g/mol
LogP8.07
Rot. Bonds2

About 2,6-ditert-butyl-4-(2-phenyl-1-benzofuran-3-yl)phenol

2,6-ditert-butyl-4-(2-phenyl-1-benzofuran-3-yl)phenol (PubChem CID 12618650) has the molecular formula C28H30O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-(2-phenyl-1-benzofuran-3-yl)phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-(2-phenyl-1-benzofuran-3-yl)phenol
PubChem CID12618650
Molecular FormulaC28H30O2
Molecular Weight398.55 g/mol
Exact Mass398.22
IUPAC Name2,6-ditert-butyl-4-(2-phenyl-1-benzofuran-3-yl)phenol
SMILESCC(C)(C)c1cc(-c2c(-c3ccccc3)oc3ccccc23)cc(C(C)(C)C)c1O
InChIInChI=1S/C28H30O2/c1-27(2,3)21-16-19(17-22(25(21)29)28(4,5)6)24-20-14-10-11-15-23(20)30-26(24)18-12-8-7-9-13-18/h7-17,29H,1-6H3
InChIKeyYRZGQFZJEZRVDI-UHFFFAOYSA-N
XLogP8.07
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 58.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(4-hydroxyphenyl)-1-benzofuran-3-yl]phenol
CID 139612412
benzene;2,6-ditert-butyl-4-phenylphenol
CID 175516792
2-(3,5-ditert-butyl-4-hydroxyphenyl)chromen-4-one
CID 10521834
2,3-diphenyl-1-benzofuran;2-hydroxyacetic acid
CID 70599531
2,3-bis(4-fluorophenyl)-1-benzofuran
CID 71732324
3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzofuran
CID 71608239
3-(3-methoxyphenyl)-2-(4-methylphenyl)-1-benzofuran
CID 135057387
2,6-ditert-butyl-4-(2,6-dimethylphenyl)phenol
CID 100914371
6,11-bis(4-methylphenyl)indeno[1,2-c]chromene
CID 71490854
3-hydroxy-2-phenylchromen-4-one;iron
CID 161072875
2-(2-phenyl-1-benzofuran-3-yl)benzonitrile
CID 154714478
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1-benzofuran
CID 121336223

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-(2-phenyl-1-benzofuran-3-yl)phenol?
The IUPAC name of 2,6-ditert-butyl-4-(2-phenyl-1-benzofuran-3-yl)phenol (CID 12618650) is 2,6-ditert-butyl-4-(2-phenyl-1-benzofuran-3-yl)phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-(2-phenyl-1-benzofuran-3-yl)phenol?
The canonical SMILES for 2,6-ditert-butyl-4-(2-phenyl-1-benzofuran-3-yl)phenol is CC(C)(C)c1cc(-c2c(-c3ccccc3)oc3ccccc23)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,6-ditert-butyl-4-(2-phenyl-1-benzofuran-3-yl)phenol?
The InChIKey is YRZGQFZJEZRVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30O2/c1-27(2,3)21-16-19(17-22(25(21)29)28(4,5)6)24-20-14-10-11-15-23(20)30-26(24)18-12-8-7-9-13-18/h7-17,29H,1-6H3.
What are the key properties of 2,6-ditert-butyl-4-(2-phenyl-1-benzofuran-3-yl)phenol?
2,6-ditert-butyl-4-(2-phenyl-1-benzofuran-3-yl)phenol has a molecular weight of 398.55 g/mol, XLogP of 8.07, 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-(2-phenyl-1-benzofuran-3-yl)phenol is sourced from PubChem (CID 12618650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).