2-(3-tert-butyl-2,5-dihydroxyphenyl)-6-[2-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-2-methylpropyl]benzene-1,4-diol

C32H42O5 — CID 146633192

IUPAC2-(3-tert-butyl-2,5-dihydroxyphenyl)-6-[2-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-2-methylpropyl]benzene-1,4-diol
SMILESCCc1cc(C(C)(C)C)c(O)c(C(C)(C)Cc2cc(O)cc(-c3cc(O)cc(C(C)(C)C)c3O)c2O)c1
InChIInChI=1S/C32H42O5/c1-10-18-11-24(30(2,3)4)29(37)26(12-18)32(8,9)17-19-13-20(33)14-22(27(19)35)23-15-21(34)16-25(28(23)36)31(5,6)7/h11-16,33-37H,10,17H2,1-9H3
InChIKeyBUMAUNSNRIXKFK-UHFFFAOYSA-N
MW506.68 g/mol
LogP7.56
Rot. Bonds5

About 2-(3-tert-butyl-2,5-dihydroxyphenyl)-6-[2-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-2-methylpropyl]benzene-1,4-diol

2-(3-tert-butyl-2,5-dihydroxyphenyl)-6-[2-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-2-methylpropyl]benzene-1,4-diol (PubChem CID 146633192) has the molecular formula C32H42O5 and a molecular weight of 506.68 g/mol. Its IUPAC name is 2-(3-tert-butyl-2,5-dihydroxyphenyl)-6-[2-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-2-methylpropyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-(3-tert-butyl-2,5-dihydroxyphenyl)-6-[2-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-2-methylpropyl]benzene-1,4-diol
PubChem CID146633192
Molecular FormulaC32H42O5
Molecular Weight506.68 g/mol
Exact Mass506.30
IUPAC Name2-(3-tert-butyl-2,5-dihydroxyphenyl)-6-[2-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-2-methylpropyl]benzene-1,4-diol
SMILESCCc1cc(C(C)(C)C)c(O)c(C(C)(C)Cc2cc(O)cc(-c3cc(O)cc(C(C)(C)C)c3O)c2O)c1
InChIInChI=1S/C32H42O5/c1-10-18-11-24(30(2,3)4)29(37)26(12-18)32(8,9)17-19-13-20(33)14-22(27(19)35)23-15-21(34)16-25(28(23)36)31(5,6)7/h11-16,33-37H,10,17H2,1-9H3
InChIKeyBUMAUNSNRIXKFK-UHFFFAOYSA-N
XLogP7.56
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.68
LogP ≤ 57.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

bis(2,6-ditert-butylbenzene-1,4-diol);ethane-1,2-diol
CID 172795780
2-tert-butyl-4-ethyl-6-sulfanylphenol
CID 15789894
2-tert-butyl-4,6-dimethylphenol;2,6-ditert-butyl-4-ethylphenol;2,6-ditert-butyl-4-methylphenol
CID 161122841
3-tert-butyl-5-ethyl-2-hydroxybenzonitrile
CID 117291785
3,5-ditert-butyl-4-ethylphenol
CID 54064796
4-butyl-2,6-ditert-butylphenol
CID 158079570
1-(3,5-ditert-butyl-4-hydroxyphenyl)propan-2-one
CID 20708554
2,6-ditert-butyl-4-(5-ethyl-2-hydroxyphenyl)phenol
CID 54333604
2,6-ditert-butyl-4-[(4-ethylanilino)methyl]phenol
CID 71376111
5-[[3-(3-tert-butyl-2,5-dihydroxyphenyl)-2-hydroxy-5-methoxyphenyl]methyl]-2,3-dimethylbenzene-1,4-diol
CID 156563736
2-ethyl-6-(4-ethylphenyl)benzene-1,4-diol
CID 101302621
4-(4-amino-2,2-dimethylbutyl)-2,6-ditert-butylphenol
CID 170887995

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-2,5-dihydroxyphenyl)-6-[2-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-2-methylpropyl]benzene-1,4-diol?
The IUPAC name of 2-(3-tert-butyl-2,5-dihydroxyphenyl)-6-[2-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-2-methylpropyl]benzene-1,4-diol (CID 146633192) is 2-(3-tert-butyl-2,5-dihydroxyphenyl)-6-[2-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-2-methylpropyl]benzene-1,4-diol.
What is the SMILES notation for 2-(3-tert-butyl-2,5-dihydroxyphenyl)-6-[2-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-2-methylpropyl]benzene-1,4-diol?
The canonical SMILES for 2-(3-tert-butyl-2,5-dihydroxyphenyl)-6-[2-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-2-methylpropyl]benzene-1,4-diol is CCc1cc(C(C)(C)C)c(O)c(C(C)(C)Cc2cc(O)cc(-c3cc(O)cc(C(C)(C)C)c3O)c2O)c1.
What is the InChIKey of 2-(3-tert-butyl-2,5-dihydroxyphenyl)-6-[2-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-2-methylpropyl]benzene-1,4-diol?
The InChIKey is BUMAUNSNRIXKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42O5/c1-10-18-11-24(30(2,3)4)29(37)26(12-18)32(8,9)17-19-13-20(33)14-22(27(19)35)23-15-21(34)16-25(28(23)36)31(5,6)7/h11-16,33-37H,10,17H2,1-9H3.
What are the key properties of 2-(3-tert-butyl-2,5-dihydroxyphenyl)-6-[2-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-2-methylpropyl]benzene-1,4-diol?
2-(3-tert-butyl-2,5-dihydroxyphenyl)-6-[2-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-2-methylpropyl]benzene-1,4-diol has a molecular weight of 506.68 g/mol, XLogP of 7.56, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-2,5-dihydroxyphenyl)-6-[2-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-2-methylpropyl]benzene-1,4-diol is sourced from PubChem (CID 146633192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).