4,6-ditert-butyl-2,8-diphenyldibenzofuran-1-ol

C32H32O2 — CID 177242466

IUPAC4,6-ditert-butyl-2,8-diphenyldibenzofuran-1-ol
SMILESCC(C)(C)c1cc(-c2ccccc2)cc2c1oc1c(C(C)(C)C)cc(-c3ccccc3)c(O)c12
InChIInChI=1S/C32H32O2/c1-31(2,3)25-18-22(20-13-9-7-10-14-20)17-24-27-28(33)23(21-15-11-8-12-16-21)19-26(32(4,5)6)30(27)34-29(24)25/h7-19,33H,1-6H3
InChIKeyHIXATTVDTRESCN-UHFFFAOYSA-N
MW448.61 g/mol
LogP9.22
Rot. Bonds2

About 4,6-ditert-butyl-2,8-diphenyldibenzofuran-1-ol

4,6-ditert-butyl-2,8-diphenyldibenzofuran-1-ol (PubChem CID 177242466) has the molecular formula C32H32O2 and a molecular weight of 448.61 g/mol. Its IUPAC name is 4,6-ditert-butyl-2,8-diphenyldibenzofuran-1-ol.

Molecular Properties

Compound Name4,6-ditert-butyl-2,8-diphenyldibenzofuran-1-ol
PubChem CID177242466
Molecular FormulaC32H32O2
Molecular Weight448.61 g/mol
Exact Mass448.24
IUPAC Name4,6-ditert-butyl-2,8-diphenyldibenzofuran-1-ol
SMILESCC(C)(C)c1cc(-c2ccccc2)cc2c1oc1c(C(C)(C)C)cc(-c3ccccc3)c(O)c12
InChIInChI=1S/C32H32O2/c1-31(2,3)25-18-22(20-13-9-7-10-14-20)17-24-27-28(33)23(21-15-11-8-12-16-21)19-26(32(4,5)6)30(27)34-29(24)25/h7-19,33H,1-6H3
InChIKeyHIXATTVDTRESCN-UHFFFAOYSA-N
XLogP9.22
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.61
LogP ≤ 59.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6,8-tetraphenyldibenzofuran-1-ol
CID 101377817
benzene;2,6-ditert-butyl-4-phenylphenol
CID 175516792
3,6-di(carbazol-9-yl)-9-(4,6-ditert-butyl-1,8-diphenyldibenzofuran-2-yl)carbazole
CID 177242402
2-phenyl-4-(3-phenylphenyl)-6-[4-(4,6,8-tritert-butyldibenzofuran-2-yl)phenyl]-1,3,5-triazine
CID 177242681
2-tert-butyl-4-methyl-6-phenylphenol
CID 14315744
2,4-ditert-butyl-6-phenylphenol;titanium
CID 175919247
CID 153340684
CID 153340684
2,5-ditert-butyl-4-phenylphenol
CID 14592702
2-[4,6-ditert-butyl-8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 177242613
26-(4,6-ditert-butyl-8-phenyldibenzofuran-2-yl)-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 177242374
3-tert-butyl-2-hydroxy-5-phenylbenzaldehyde
CID 15531554
2-tert-butyl-1,4-diphenylnaphthalene
CID 10759331

Frequently Asked Questions

What is the IUPAC name of 4,6-ditert-butyl-2,8-diphenyldibenzofuran-1-ol?
The IUPAC name of 4,6-ditert-butyl-2,8-diphenyldibenzofuran-1-ol (CID 177242466) is 4,6-ditert-butyl-2,8-diphenyldibenzofuran-1-ol.
What is the SMILES notation for 4,6-ditert-butyl-2,8-diphenyldibenzofuran-1-ol?
The canonical SMILES for 4,6-ditert-butyl-2,8-diphenyldibenzofuran-1-ol is CC(C)(C)c1cc(-c2ccccc2)cc2c1oc1c(C(C)(C)C)cc(-c3ccccc3)c(O)c12.
What is the InChIKey of 4,6-ditert-butyl-2,8-diphenyldibenzofuran-1-ol?
The InChIKey is HIXATTVDTRESCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32O2/c1-31(2,3)25-18-22(20-13-9-7-10-14-20)17-24-27-28(33)23(21-15-11-8-12-16-21)19-26(32(4,5)6)30(27)34-29(24)25/h7-19,33H,1-6H3.
What are the key properties of 4,6-ditert-butyl-2,8-diphenyldibenzofuran-1-ol?
4,6-ditert-butyl-2,8-diphenyldibenzofuran-1-ol has a molecular weight of 448.61 g/mol, XLogP of 9.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-ditert-butyl-2,8-diphenyldibenzofuran-1-ol is sourced from PubChem (CID 177242466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).