2-(1,3-benzoxazol-2-yl)-6-(5-tert-butyl-1,3-benzoxazol-2-yl)-4-phenoxyphenol

C30H24N2O4 — CID 147817807

IUPAC2-(1,3-benzoxazol-2-yl)-6-(5-tert-butyl-1,3-benzoxazol-2-yl)-4-phenoxyphenol
SMILESCC(C)(C)c1ccc2oc(-c3cc(Oc4ccccc4)cc(-c4nc5ccccc5o4)c3O)nc2c1
InChIInChI=1S/C30H24N2O4/c1-30(2,3)18-13-14-26-24(15-18)32-29(36-26)22-17-20(34-19-9-5-4-6-10-19)16-21(27(22)33)28-31-23-11-7-8-12-25(23)35-28/h4-17,33H,1-3H3
InChIKeyHOQMUWZREVQPDZ-UHFFFAOYSA-N
MW476.53 g/mol
LogP8.10
Rot. Bonds4

About 2-(1,3-benzoxazol-2-yl)-6-(5-tert-butyl-1,3-benzoxazol-2-yl)-4-phenoxyphenol

2-(1,3-benzoxazol-2-yl)-6-(5-tert-butyl-1,3-benzoxazol-2-yl)-4-phenoxyphenol (PubChem CID 147817807) has the molecular formula C30H24N2O4 and a molecular weight of 476.53 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yl)-6-(5-tert-butyl-1,3-benzoxazol-2-yl)-4-phenoxyphenol.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yl)-6-(5-tert-butyl-1,3-benzoxazol-2-yl)-4-phenoxyphenol
PubChem CID147817807
Molecular FormulaC30H24N2O4
Molecular Weight476.53 g/mol
Exact Mass476.17
IUPAC Name2-(1,3-benzoxazol-2-yl)-6-(5-tert-butyl-1,3-benzoxazol-2-yl)-4-phenoxyphenol
SMILESCC(C)(C)c1ccc2oc(-c3cc(Oc4ccccc4)cc(-c4nc5ccccc5o4)c3O)nc2c1
InChIInChI=1S/C30H24N2O4/c1-30(2,3)18-13-14-26-24(15-18)32-29(36-26)22-17-20(34-19-9-5-4-6-10-19)16-21(27(22)33)28-31-23-11-7-8-12-25(23)35-28/h4-17,33H,1-3H3
InChIKeyHOQMUWZREVQPDZ-UHFFFAOYSA-N
XLogP8.10
TPSA81.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.53
LogP ≤ 58.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1,3-benzoxazol-2-yl)-6-(5-tert-butyl-1,3-benzoxazol-2-yl)-4-phenoxyphenol with MolForge

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Related Compounds

5-tert-butyl-2-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole
CID 18381170
5-tert-butyl-2-(2-methylphenyl)-1,3-benzoxazole
CID 46085757
2,6-bis(1,3-benzoxazol-2-yl)-4-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797678
5-tert-butyl-2-(2,5-dimethylphenyl)-1,3-benzoxazole
CID 46089173
bis(3-(1,3-benzoxazol-2-yl)naphthalen-2-ol);zinc
CID 153426801
4-bromo-2-(5-tert-butyl-1,3-benzoxazol-2-yl)aniline
CID 63539691
5-tert-butyl-2-(2,4-difluorophenyl)-1,3-benzoxazole
CID 46089030
5-tert-butyl-2-(2,5-difluorophenyl)-1,3-benzoxazole
CID 46089031
5-tert-butyl-2-[3-(5-tert-butyl-1,3-benzoxazol-2-yl)-1-naphthalen-2-ylanthracen-2-yl]-1,3-benzoxazole
CID 141362951
2-[5-bromo-2-(3-phenylprop-2-enoxy)phenyl]-5-tert-butyl-1,3-benzoxazole
CID 68525287
bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium
CID 157356181
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-4-tert-butylbenzamide
CID 2263263

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yl)-6-(5-tert-butyl-1,3-benzoxazol-2-yl)-4-phenoxyphenol?
The IUPAC name of 2-(1,3-benzoxazol-2-yl)-6-(5-tert-butyl-1,3-benzoxazol-2-yl)-4-phenoxyphenol (CID 147817807) is 2-(1,3-benzoxazol-2-yl)-6-(5-tert-butyl-1,3-benzoxazol-2-yl)-4-phenoxyphenol.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yl)-6-(5-tert-butyl-1,3-benzoxazol-2-yl)-4-phenoxyphenol?
The canonical SMILES for 2-(1,3-benzoxazol-2-yl)-6-(5-tert-butyl-1,3-benzoxazol-2-yl)-4-phenoxyphenol is CC(C)(C)c1ccc2oc(-c3cc(Oc4ccccc4)cc(-c4nc5ccccc5o4)c3O)nc2c1.
What is the InChIKey of 2-(1,3-benzoxazol-2-yl)-6-(5-tert-butyl-1,3-benzoxazol-2-yl)-4-phenoxyphenol?
The InChIKey is HOQMUWZREVQPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O4/c1-30(2,3)18-13-14-26-24(15-18)32-29(36-26)22-17-20(34-19-9-5-4-6-10-19)16-21(27(22)33)28-31-23-11-7-8-12-25(23)35-28/h4-17,33H,1-3H3.
What are the key properties of 2-(1,3-benzoxazol-2-yl)-6-(5-tert-butyl-1,3-benzoxazol-2-yl)-4-phenoxyphenol?
2-(1,3-benzoxazol-2-yl)-6-(5-tert-butyl-1,3-benzoxazol-2-yl)-4-phenoxyphenol has a molecular weight of 476.53 g/mol, XLogP of 8.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yl)-6-(5-tert-butyl-1,3-benzoxazol-2-yl)-4-phenoxyphenol is sourced from PubChem (CID 147817807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).