3,5-ditert-butyl-2,6-bis(2,4-dimethoxyphenyl)phenol

C30H38O5 — CID 10435212

IUPAC3,5-ditert-butyl-2,6-bis(2,4-dimethoxyphenyl)phenol
SMILESCOc1ccc(-c2c(C(C)(C)C)cc(C(C)(C)C)c(-c3ccc(OC)cc3OC)c2O)c(OC)c1
InChIInChI=1S/C30H38O5/c1-29(2,3)22-17-23(30(4,5)6)27(21-14-12-19(33-8)16-25(21)35-10)28(31)26(22)20-13-11-18(32-7)15-24(20)34-9/h11-17,31H,1-10H3
InChIKeyMTRRHYLVIFOSPC-UHFFFAOYSA-N
MW478.63 g/mol
LogP7.36
Rot. Bonds6

About 3,5-ditert-butyl-2,6-bis(2,4-dimethoxyphenyl)phenol

3,5-ditert-butyl-2,6-bis(2,4-dimethoxyphenyl)phenol (PubChem CID 10435212) has the molecular formula C30H38O5 and a molecular weight of 478.63 g/mol. Its IUPAC name is 3,5-ditert-butyl-2,6-bis(2,4-dimethoxyphenyl)phenol.

Molecular Properties

Compound Name3,5-ditert-butyl-2,6-bis(2,4-dimethoxyphenyl)phenol
PubChem CID10435212
Molecular FormulaC30H38O5
Molecular Weight478.63 g/mol
Exact Mass478.27
IUPAC Name3,5-ditert-butyl-2,6-bis(2,4-dimethoxyphenyl)phenol
SMILESCOc1ccc(-c2c(C(C)(C)C)cc(C(C)(C)C)c(-c3ccc(OC)cc3OC)c2O)c(OC)c1
InChIInChI=1S/C30H38O5/c1-29(2,3)22-17-23(30(4,5)6)27(21-14-12-19(33-8)16-25(21)35-10)28(31)26(22)20-13-11-18(32-7)15-24(20)34-9/h11-17,31H,1-10H3
InChIKeyMTRRHYLVIFOSPC-UHFFFAOYSA-N
XLogP7.36
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.63
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethoxyphenyl)-3,5-dimethoxyphenol
CID 165177874
2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-ol
CID 116889764
3-amino-2-(2,4-dimethoxyphenyl)phenol;hydrochloride
CID 22173838
2-tert-butyl-4-methoxyphenol;ethane
CID 91123159
2-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrrole
CID 82078942
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625
bis(2-tert-butyl-4-methoxyphenyl) carbonate
CID 168985154
2,6-ditert-butyl-4-methoxyphenol
CID 10269
dimethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232490
4-(2,4-dimethoxyphenyl)-3-fluorophenol
CID 53219547
1-tert-butyl-2,4-dimethoxybenzene;octa-2,4,6-triyne;dihydrate
CID 160884376
2-tert-butyl-4-methoxy-1-methylbenzene;hydrofluoride
CID 157336845

Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-2,6-bis(2,4-dimethoxyphenyl)phenol?
The IUPAC name of 3,5-ditert-butyl-2,6-bis(2,4-dimethoxyphenyl)phenol (CID 10435212) is 3,5-ditert-butyl-2,6-bis(2,4-dimethoxyphenyl)phenol.
What is the SMILES notation for 3,5-ditert-butyl-2,6-bis(2,4-dimethoxyphenyl)phenol?
The canonical SMILES for 3,5-ditert-butyl-2,6-bis(2,4-dimethoxyphenyl)phenol is COc1ccc(-c2c(C(C)(C)C)cc(C(C)(C)C)c(-c3ccc(OC)cc3OC)c2O)c(OC)c1.
What is the InChIKey of 3,5-ditert-butyl-2,6-bis(2,4-dimethoxyphenyl)phenol?
The InChIKey is MTRRHYLVIFOSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38O5/c1-29(2,3)22-17-23(30(4,5)6)27(21-14-12-19(33-8)16-25(21)35-10)28(31)26(22)20-13-11-18(32-7)15-24(20)34-9/h11-17,31H,1-10H3.
What are the key properties of 3,5-ditert-butyl-2,6-bis(2,4-dimethoxyphenyl)phenol?
3,5-ditert-butyl-2,6-bis(2,4-dimethoxyphenyl)phenol has a molecular weight of 478.63 g/mol, XLogP of 7.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-2,6-bis(2,4-dimethoxyphenyl)phenol is sourced from PubChem (CID 10435212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).