(2-tert-butyl-4-hydroxyphenoxy)boronic acid

C10H15BO4 — CID 142796118

IUPAC(2-tert-butyl-4-hydroxyphenoxy)boronic acid
SMILESCC(C)(C)c1cc(O)ccc1OB(O)O
InChIInChI=1S/C10H15BO4/c1-10(2,3)8-6-7(12)4-5-9(8)15-11(13)14/h4-6,12-14H,1-3H3
InChIKeyLQXHGCIXQSPLLW-UHFFFAOYSA-N
MW210.04 g/mol
LogP1.04
Rot. Bonds2

About (2-tert-butyl-4-hydroxyphenoxy)boronic acid

(2-tert-butyl-4-hydroxyphenoxy)boronic acid (PubChem CID 142796118) has the molecular formula C10H15BO4 and a molecular weight of 210.04 g/mol. Its IUPAC name is (2-tert-butyl-4-hydroxyphenoxy)boronic acid.

Molecular Properties

Compound Name(2-tert-butyl-4-hydroxyphenoxy)boronic acid
PubChem CID142796118
Molecular FormulaC10H15BO4
Molecular Weight210.04 g/mol
Exact Mass210.11
IUPAC Name(2-tert-butyl-4-hydroxyphenoxy)boronic acid
SMILESCC(C)(C)c1cc(O)ccc1OB(O)O
InChIInChI=1S/C10H15BO4/c1-10(2,3)8-6-7(12)4-5-9(8)15-11(13)14/h4-6,12-14H,1-3H3
InChIKeyLQXHGCIXQSPLLW-UHFFFAOYSA-N
XLogP1.04
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.04
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-tert-butyl-4-[[4-tert-butyl-6-(2-tert-butyl-4-hydroxyphenoxy)-1,3,5-triazin-2-yl]oxy]phenol
CID 158686361
3-tert-butyl-4-methylphenol
CID 13130216
[2-[(dimethylamino)methyl]-4-hydroxyphenoxy]boronic acid
CID 142763022
(2-tert-butyl-4-hydroxyphenyl) 3-[4-(2-tert-butyl-4-hydroxyphenoxy)-1-hydroxy-4-oxobutan-2-yl]sulfanyl-4-hydroxybutanoate
CID 57205209
2-tert-butylbenzene-1,4-diol;ethanol
CID 158505394
4-methoxy-3-[2-methyl-1-(methylamino)propan-2-yl]phenol
CID 105425938
4-aminosulfanyl-3-tert-butylphenol
CID 141059626
2-(2-tert-butyl-4-hydroxyphenoxy)carbonyl-2-methylhexanoic acid
CID 175480800
[4-ethoxy-2-(trifluoromethyl)phenoxy]boronic acid
CID 22035006
2-tert-butyl-6-methoxybenzene-1,4-diol
CID 121217885
2,4-ditert-butyl-1-(trifluoromethoxy)benzene
CID 164683677
3-(1-amino-2-fluoropropan-2-yl)-4-methoxyphenol
CID 105425939

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-4-hydroxyphenoxy)boronic acid?
The IUPAC name of (2-tert-butyl-4-hydroxyphenoxy)boronic acid (CID 142796118) is (2-tert-butyl-4-hydroxyphenoxy)boronic acid.
What is the SMILES notation for (2-tert-butyl-4-hydroxyphenoxy)boronic acid?
The canonical SMILES for (2-tert-butyl-4-hydroxyphenoxy)boronic acid is CC(C)(C)c1cc(O)ccc1OB(O)O.
What is the InChIKey of (2-tert-butyl-4-hydroxyphenoxy)boronic acid?
The InChIKey is LQXHGCIXQSPLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BO4/c1-10(2,3)8-6-7(12)4-5-9(8)15-11(13)14/h4-6,12-14H,1-3H3.
What are the key properties of (2-tert-butyl-4-hydroxyphenoxy)boronic acid?
(2-tert-butyl-4-hydroxyphenoxy)boronic acid has a molecular weight of 210.04 g/mol, XLogP of 1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-4-hydroxyphenoxy)boronic acid is sourced from PubChem (CID 142796118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).