2-tert-butylbenzene-1,4-diol;ethyl acetate

C14H22O4 — CID 160880544

IUPAC2-tert-butylbenzene-1,4-diol;ethyl acetate
SMILESCC(C)(C)c1cc(O)ccc1O.CCOC(C)=O
InChIInChI=1S/C10H14O2.C4H8O2/c1-10(2,3)8-6-7(11)4-5-9(8)12;1-3-6-4(2)5/h4-6,11-12H,1-3H3;3H2,1-2H3
InChIKeySMYXKISXEAHSNJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.96
Rot. Bonds1

About 2-tert-butylbenzene-1,4-diol;ethyl acetate

2-tert-butylbenzene-1,4-diol;ethyl acetate (PubChem CID 160880544) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-tert-butylbenzene-1,4-diol;ethyl acetate.

Molecular Properties

Compound Name2-tert-butylbenzene-1,4-diol;ethyl acetate
PubChem CID160880544
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name2-tert-butylbenzene-1,4-diol;ethyl acetate
SMILESCC(C)(C)c1cc(O)ccc1O.CCOC(C)=O
InChIInChI=1S/C10H14O2.C4H8O2/c1-10(2,3)8-6-7(11)4-5-9(8)12;1-3-6-4(2)5/h4-6,11-12H,1-3H3;3H2,1-2H3
InChIKeySMYXKISXEAHSNJ-UHFFFAOYSA-N
XLogP2.96
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butylbenzene-1,4-diol;ethanol
CID 158505394
benzene-1,3-diol;ethyl acetate
CID 175540003
ethyl 4-(3-tert-butyl-4-hydroxyphenyl)-3,4-dihydroxybutanoate
CID 171897974
benzene-1,2,4-triol;diethyl 2-methylpropanedioate
CID 174557220
4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol;ethyl acetate
CID 139176333
ethyl 4-(3-tert-butyl-4-hydroxybenzoyl)piperazine-1-carboxylate
CID 59382289
(3,5-ditert-butyl-4-hydroxyphenyl) 2-methylpropanoate;ethyl acetate
CID 158750681
3-tert-butyl-4-methylphenol
CID 13130216
2-[(2S)-2-amino-1-hydroxypropan-2-yl]benzene-1,4-diol
CID 130682329
ethyl (3S)-3-amino-3-(2,5-dihydroxyphenyl)propanoate
CID 171220684
(3,5-ditert-butyl-2-hydroxy-6-methylphenyl)methyl acetate
CID 19695108
ethyl acetate;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
CID 175502826

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylbenzene-1,4-diol;ethyl acetate?
The IUPAC name of 2-tert-butylbenzene-1,4-diol;ethyl acetate (CID 160880544) is 2-tert-butylbenzene-1,4-diol;ethyl acetate.
What is the SMILES notation for 2-tert-butylbenzene-1,4-diol;ethyl acetate?
The canonical SMILES for 2-tert-butylbenzene-1,4-diol;ethyl acetate is CC(C)(C)c1cc(O)ccc1O.CCOC(C)=O.
What is the InChIKey of 2-tert-butylbenzene-1,4-diol;ethyl acetate?
The InChIKey is SMYXKISXEAHSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2.C4H8O2/c1-10(2,3)8-6-7(11)4-5-9(8)12;1-3-6-4(2)5/h4-6,11-12H,1-3H3;3H2,1-2H3.
What are the key properties of 2-tert-butylbenzene-1,4-diol;ethyl acetate?
2-tert-butylbenzene-1,4-diol;ethyl acetate has a molecular weight of 254.33 g/mol, XLogP of 2.96, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylbenzene-1,4-diol;ethyl acetate is sourced from PubChem (CID 160880544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).