methanol;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

C13H21BO4 — CID 158702164

IUPACmethanol;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
SMILESCC1(C)OB(c2ccc(O)cc2)OC1(C)C.CO
InChIInChI=1S/C12H17BO3.CH4O/c1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9;1-2/h5-8,14H,1-4H3;2H,1H3
InChIKeyIHRFQKXLWDBLHF-UHFFFAOYSA-N
MW252.12 g/mol
LogP1.30
Rot. Bonds1

About methanol;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

methanol;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol (PubChem CID 158702164) has the molecular formula C13H21BO4 and a molecular weight of 252.12 g/mol. Its IUPAC name is methanol;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol.

Molecular Properties

Compound Namemethanol;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
PubChem CID158702164
Molecular FormulaC13H21BO4
Molecular Weight252.12 g/mol
Exact Mass252.15
IUPAC Namemethanol;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
SMILESCC1(C)OB(c2ccc(O)cc2)OC1(C)C.CO
InChIInChI=1S/C12H17BO3.CH4O/c1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9;1-2/h5-8,14H,1-4H3;2H,1H3
InChIKeyIHRFQKXLWDBLHF-UHFFFAOYSA-N
XLogP1.30
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.12
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-hydroxyphenyl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
CID 162386659
4-[3-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butan-2-yl]phenol
CID 59416712
1,2-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethane-1,2-dione
CID 68776148
4,4,5,5-tetramethyl-2-[4-(2-methylprop-1-enyl)phenyl]-1,3,2-dioxaborolane
CID 58150672
ethane;4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane
CID 142330584
3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenol
CID 162354292
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzene-1,3-diol
CID 144987923
2-[4-[bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 175003958
1,4-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butane-1,4-dione
CID 59616952
(1S)-2-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-1-ol
CID 99773336
imino-methyl-oxo-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-λ6-sulfane
CID 125479412
2-(4-ethenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 23629516

Frequently Asked Questions

What is the IUPAC name of methanol;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol?
The IUPAC name of methanol;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol (CID 158702164) is methanol;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol.
What is the SMILES notation for methanol;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol?
The canonical SMILES for methanol;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol is CC1(C)OB(c2ccc(O)cc2)OC1(C)C.CO.
What is the InChIKey of methanol;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol?
The InChIKey is IHRFQKXLWDBLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BO3.CH4O/c1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9;1-2/h5-8,14H,1-4H3;2H,1H3.
What are the key properties of methanol;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol?
methanol;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol has a molecular weight of 252.12 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol is sourced from PubChem (CID 158702164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).