2-tert-butyl-5-(2-ethyl-3,3-dimethylbutyl)benzene-1,4-diol

C18H30O2 — CID 141276702

IUPAC2-tert-butyl-5-(2-ethyl-3,3-dimethylbutyl)benzene-1,4-diol
SMILESCCC(Cc1cc(O)c(C(C)(C)C)cc1O)C(C)(C)C
InChIInChI=1S/C18H30O2/c1-8-13(17(2,3)4)9-12-10-16(20)14(11-15(12)19)18(5,6)7/h10-11,13,19-20H,8-9H2,1-7H3
InChIKeyBUGLMKUOCXATCD-UHFFFAOYSA-N
MW278.44 g/mol
LogP5.01
Rot. Bonds3

About 2-tert-butyl-5-(2-ethyl-3,3-dimethylbutyl)benzene-1,4-diol

2-tert-butyl-5-(2-ethyl-3,3-dimethylbutyl)benzene-1,4-diol (PubChem CID 141276702) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-tert-butyl-5-(2-ethyl-3,3-dimethylbutyl)benzene-1,4-diol.

Molecular Properties

Compound Name2-tert-butyl-5-(2-ethyl-3,3-dimethylbutyl)benzene-1,4-diol
PubChem CID141276702
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name2-tert-butyl-5-(2-ethyl-3,3-dimethylbutyl)benzene-1,4-diol
SMILESCCC(Cc1cc(O)c(C(C)(C)C)cc1O)C(C)(C)C
InChIInChI=1S/C18H30O2/c1-8-13(17(2,3)4)9-12-10-16(20)14(11-15(12)19)18(5,6)7/h10-11,13,19-20H,8-9H2,1-7H3
InChIKeyBUGLMKUOCXATCD-UHFFFAOYSA-N
XLogP5.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-5-ethylbenzene-1,4-diol
CID 13097614
2-tert-butyl-5-methylsulfanylbenzene-1,4-diol
CID 71342649
4-tert-butyl-6-(hydroxymethyl)benzene-1,3-diol
CID 23345326
5-butan-2-yl-2-tert-butyl-4-fluorophenol
CID 118092191
2-tert-butyl-4-(2-hydroxypropyl)-5-methylphenol
CID 117318695
5-tert-butyl-4-chloro-2-ethylphenol
CID 118092257
4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)methylsulfanylmethyl]-5-methyl-2-(2-methylpropyl)phenol
CID 58352240
2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)disulfanyl]-5-methylphenol
CID 15919604
4-tert-butyl-2-methyl-5-(2-methylpropyl)phenol
CID 142267166
(4-tert-butyl-2,5-dihydroxyphenyl)methyl 5-methylhexanoate
CID 139928552
2-tert-butyl-4-[1-(5-tert-butyl-4-hydroxy-2-methylphenyl)-2-ethyl-1-sulfanyltetradecyl]-5-methylphenol
CID 87220853
5-tert-butyl-4-ethyl-2-methylphenol
CID 142192089

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2-ethyl-3,3-dimethylbutyl)benzene-1,4-diol?
The IUPAC name of 2-tert-butyl-5-(2-ethyl-3,3-dimethylbutyl)benzene-1,4-diol (CID 141276702) is 2-tert-butyl-5-(2-ethyl-3,3-dimethylbutyl)benzene-1,4-diol.
What is the SMILES notation for 2-tert-butyl-5-(2-ethyl-3,3-dimethylbutyl)benzene-1,4-diol?
The canonical SMILES for 2-tert-butyl-5-(2-ethyl-3,3-dimethylbutyl)benzene-1,4-diol is CCC(Cc1cc(O)c(C(C)(C)C)cc1O)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-5-(2-ethyl-3,3-dimethylbutyl)benzene-1,4-diol?
The InChIKey is BUGLMKUOCXATCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-8-13(17(2,3)4)9-12-10-16(20)14(11-15(12)19)18(5,6)7/h10-11,13,19-20H,8-9H2,1-7H3.
What are the key properties of 2-tert-butyl-5-(2-ethyl-3,3-dimethylbutyl)benzene-1,4-diol?
2-tert-butyl-5-(2-ethyl-3,3-dimethylbutyl)benzene-1,4-diol has a molecular weight of 278.44 g/mol, XLogP of 5.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2-ethyl-3,3-dimethylbutyl)benzene-1,4-diol is sourced from PubChem (CID 141276702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).