(4-tert-butyl-3-hydroxyphenyl) hydrogen carbonate

C11H14O4 — CID 87705935

IUPAC(4-tert-butyl-3-hydroxyphenyl) hydrogen carbonate
SMILESCC(C)(C)c1ccc(OC(=O)O)cc1O
InChIInChI=1S/C11H14O4/c1-11(2,3)8-5-4-7(6-9(8)12)15-10(13)14/h4-6,12H,1-3H3,(H,13,14)
InChIKeyLPCNRIMGVLKJOO-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.75
Rot. Bonds1

About (4-tert-butyl-3-hydroxyphenyl) hydrogen carbonate

(4-tert-butyl-3-hydroxyphenyl) hydrogen carbonate (PubChem CID 87705935) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is (4-tert-butyl-3-hydroxyphenyl) hydrogen carbonate.

Molecular Properties

Compound Name(4-tert-butyl-3-hydroxyphenyl) hydrogen carbonate
PubChem CID87705935
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name(4-tert-butyl-3-hydroxyphenyl) hydrogen carbonate
SMILESCC(C)(C)c1ccc(OC(=O)O)cc1O
InChIInChI=1S/C11H14O4/c1-11(2,3)8-5-4-7(6-9(8)12)15-10(13)14/h4-6,12H,1-3H3,(H,13,14)
InChIKeyLPCNRIMGVLKJOO-UHFFFAOYSA-N
XLogP2.75
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6,7-dihydroxynaphthalen-2-yl) hydrogen carbonate
CID 19781384
(3-tert-butyl-4-hydroxyphenyl) 2-phenylacetate
CID 836845
(4-methylphenyl) hydrogen carbonate
CID 19016637
2-tert-butyl-4-(3-tert-butyl-4-hydroxyphenoxy)phenol
CID 18178010
[4-(3,5-ditert-butyl-4-hydroxybenzoyl)-3-hydroxyphenyl] 3,5-ditert-butyl-4-hydroxybenzoate
CID 19733940
2-tert-butyl-5-but-3-ynoxyphenol
CID 54288399
[3-hydroxy-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate
CID 90250869
(3-amino-4-tert-butylphenyl) methyl carbonate
CID 131988205
5-[(E)-2-(4-tert-butyl-3-hydroxyphenyl)ethenyl]benzene-1,3-diol
CID 162699386
2-tert-butyl-4-methoxyphenol;ethane
CID 91123159
(4-methoxyphenyl) hydrogen carbonate
CID 19016633
(4-chloro-3-hydroxyphenyl) acetate
CID 11052361

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-3-hydroxyphenyl) hydrogen carbonate?
The IUPAC name of (4-tert-butyl-3-hydroxyphenyl) hydrogen carbonate (CID 87705935) is (4-tert-butyl-3-hydroxyphenyl) hydrogen carbonate.
What is the SMILES notation for (4-tert-butyl-3-hydroxyphenyl) hydrogen carbonate?
The canonical SMILES for (4-tert-butyl-3-hydroxyphenyl) hydrogen carbonate is CC(C)(C)c1ccc(OC(=O)O)cc1O.
What is the InChIKey of (4-tert-butyl-3-hydroxyphenyl) hydrogen carbonate?
The InChIKey is LPCNRIMGVLKJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-11(2,3)8-5-4-7(6-9(8)12)15-10(13)14/h4-6,12H,1-3H3,(H,13,14).
What are the key properties of (4-tert-butyl-3-hydroxyphenyl) hydrogen carbonate?
(4-tert-butyl-3-hydroxyphenyl) hydrogen carbonate has a molecular weight of 210.23 g/mol, XLogP of 2.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-3-hydroxyphenyl) hydrogen carbonate is sourced from PubChem (CID 87705935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).