2-tert-butylbenzene-1,4-diol;ethanol

C12H20O3 — CID 158505394

IUPAC2-tert-butylbenzene-1,4-diol;ethanol
SMILESCC(C)(C)c1cc(O)ccc1O.CCO
InChIInChI=1S/C10H14O2.C2H6O/c1-10(2,3)8-6-7(11)4-5-9(8)12;1-2-3/h4-6,11-12H,1-3H3;3H,2H2,1H3
InChIKeyHKKFNXXCMWWPBI-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.39
Rot. Bonds

About 2-tert-butylbenzene-1,4-diol;ethanol

2-tert-butylbenzene-1,4-diol;ethanol (PubChem CID 158505394) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-tert-butylbenzene-1,4-diol;ethanol.

Molecular Properties

Compound Name2-tert-butylbenzene-1,4-diol;ethanol
PubChem CID158505394
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name2-tert-butylbenzene-1,4-diol;ethanol
SMILESCC(C)(C)c1cc(O)ccc1O.CCO
InChIInChI=1S/C10H14O2.C2H6O/c1-10(2,3)8-6-7(11)4-5-9(8)12;1-2-3/h4-6,11-12H,1-3H3;3H,2H2,1H3
InChIKeyHKKFNXXCMWWPBI-UHFFFAOYSA-N
XLogP2.39
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butylbenzene-1,4-diol;ethyl acetate
CID 160880544
2-[(2S)-2-amino-1-hydroxypropan-2-yl]benzene-1,4-diol
CID 130682329
methane;2-(2-methylbutan-2-yl)benzene-1,4-diol;tungsten
CID 159220306
bis(2-tert-butyl-4-ethylphenol);methane
CID 174954816
3-tert-butyl-4-methylphenol
CID 13130216
isocyanic acid;2-(2-methylbutan-2-yl)benzene-1,4-diol
CID 155209022
2-tert-butyl-4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 87504919
2-tert-butylbenzene-1,4-diol;5-tert-butyl-2-ethoxyquinoline
CID 174825203
4-[[3,5-bis[(4-hydroxyphenyl)methyl]-2,4,6-trimethylphenyl]methyl]-2-tert-butylphenol
CID 152642157
2-tert-butyl-4-pentylphenol
CID 19933254
2-tert-butyl-4-(2-hydroxyethoxy)phenol
CID 18353567
2-tert-butyl-4-(3-tert-butyl-4-hydroxyphenoxy)phenol
CID 18178010

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylbenzene-1,4-diol;ethanol?
The IUPAC name of 2-tert-butylbenzene-1,4-diol;ethanol (CID 158505394) is 2-tert-butylbenzene-1,4-diol;ethanol.
What is the SMILES notation for 2-tert-butylbenzene-1,4-diol;ethanol?
The canonical SMILES for 2-tert-butylbenzene-1,4-diol;ethanol is CC(C)(C)c1cc(O)ccc1O.CCO.
What is the InChIKey of 2-tert-butylbenzene-1,4-diol;ethanol?
The InChIKey is HKKFNXXCMWWPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2.C2H6O/c1-10(2,3)8-6-7(11)4-5-9(8)12;1-2-3/h4-6,11-12H,1-3H3;3H,2H2,1H3.
What are the key properties of 2-tert-butylbenzene-1,4-diol;ethanol?
2-tert-butylbenzene-1,4-diol;ethanol has a molecular weight of 212.29 g/mol, XLogP of 2.39, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylbenzene-1,4-diol;ethanol is sourced from PubChem (CID 158505394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).