tert-butyl (4-hydroxyphenyl) carbonate

C11H14O4 — CID 22345869

IUPACtert-butyl (4-hydroxyphenyl) carbonate
SMILESCC(C)(C)OC(=O)Oc1ccc(O)cc1
InChIInChI=1S/C11H14O4/c1-11(2,3)15-10(13)14-9-6-4-8(12)5-7-9/h4-7,12H,1-3H3
InChIKeyKXUKRZZEHBUWKN-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.71
Rot. Bonds1

About tert-butyl (4-hydroxyphenyl) carbonate

tert-butyl (4-hydroxyphenyl) carbonate (PubChem CID 22345869) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is tert-butyl (4-hydroxyphenyl) carbonate.

Molecular Properties

Compound Nametert-butyl (4-hydroxyphenyl) carbonate
PubChem CID22345869
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Nametert-butyl (4-hydroxyphenyl) carbonate
SMILESCC(C)(C)OC(=O)Oc1ccc(O)cc1
InChIInChI=1S/C11H14O4/c1-11(2,3)15-10(13)14-9-6-4-8(12)5-7-9/h4-7,12H,1-3H3
InChIKeyKXUKRZZEHBUWKN-UHFFFAOYSA-N
XLogP2.71
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[1-[3,5-bis[1-(4-hydroxyphenyl)-1-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]ethyl]phenyl]-1-(4-hydroxyphenyl)ethyl]phenyl] tert-butyl carbonate
CID 101465913
tert-butyl (4-fluorophenyl) carbonate
CID 67162624
tert-butyl (4-iodophenyl) carbonate
CID 22345872
tert-butyl (4-methylsulfanylphenyl) carbonate
CID 15044335
tert-butyl [4-[4-(4-hydroxyphenyl)buta-1,3-dienyl]phenyl] carbonate;tert-butyl 2-methylprop-2-enoate
CID 87583303
[4-[2-[4-[1,1-bis[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]ethyl]phenyl]propan-2-yl]phenyl] tert-butyl carbonate
CID 59938996
tert-butyl (4-ethenylphenyl) carbonate;4-ethenylphenol;methyl 2-methylprop-2-enoate
CID 67421785
(4-hydroxyphenyl) 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 90910009
tert-butyl [4-[2-methyl-1-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propyl]phenyl] carbonate
CID 173242244
tert-butyl [4-[2-(4-methylphenyl)propan-2-yl]phenyl] carbonate
CID 20610670
[4-(4-anilinoanilino)phenyl] tert-butyl carbonate
CID 19763252
tert-butyl (4-nitrophenyl) carbonate;ethane
CID 143603292

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4-hydroxyphenyl) carbonate?
The IUPAC name of tert-butyl (4-hydroxyphenyl) carbonate (CID 22345869) is tert-butyl (4-hydroxyphenyl) carbonate.
What is the SMILES notation for tert-butyl (4-hydroxyphenyl) carbonate?
The canonical SMILES for tert-butyl (4-hydroxyphenyl) carbonate is CC(C)(C)OC(=O)Oc1ccc(O)cc1.
What is the InChIKey of tert-butyl (4-hydroxyphenyl) carbonate?
The InChIKey is KXUKRZZEHBUWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-11(2,3)15-10(13)14-9-6-4-8(12)5-7-9/h4-7,12H,1-3H3.
What are the key properties of tert-butyl (4-hydroxyphenyl) carbonate?
tert-butyl (4-hydroxyphenyl) carbonate has a molecular weight of 210.23 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4-hydroxyphenyl) carbonate is sourced from PubChem (CID 22345869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).