(3,5-ditert-butyl-4-methoxyphenyl)boronic acid

C15H25BO3 — CID 74891306

IUPAC(3,5-ditert-butyl-4-methoxyphenyl)boronic acid
SMILESCOc1c(C(C)(C)C)cc(B(O)O)cc1C(C)(C)C
InChIInChI=1S/C15H25BO3/c1-14(2,3)11-8-10(16(17)18)9-12(13(11)19-7)15(4,5)6/h8-9,17-18H,1-7H3
InChIKeyCIYHLDPTVFBRGD-UHFFFAOYSA-N
MW264.17 g/mol
LogP1.97
Rot. Bonds2

About (3,5-ditert-butyl-4-methoxyphenyl)boronic acid

(3,5-ditert-butyl-4-methoxyphenyl)boronic acid (PubChem CID 74891306) has the molecular formula C15H25BO3 and a molecular weight of 264.17 g/mol. Its IUPAC name is (3,5-ditert-butyl-4-methoxyphenyl)boronic acid.

Molecular Properties

Compound Name(3,5-ditert-butyl-4-methoxyphenyl)boronic acid
PubChem CID74891306
Molecular FormulaC15H25BO3
Molecular Weight264.17 g/mol
Exact Mass264.19
IUPAC Name(3,5-ditert-butyl-4-methoxyphenyl)boronic acid
SMILESCOc1c(C(C)(C)C)cc(B(O)O)cc1C(C)(C)C
InChIInChI=1S/C15H25BO3/c1-14(2,3)11-8-10(16(17)18)9-12(13(11)19-7)15(4,5)6/h8-9,17-18H,1-7H3
InChIKeyCIYHLDPTVFBRGD-UHFFFAOYSA-N
XLogP1.97
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.17
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3,5-ditert-butyl-4-methoxyphenyl)boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,5-ditert-butyl-4-fluorophenyl)boronic acid
CID 70872894
(5-tert-butylisoquinolin-7-yl)boronic acid
CID 171854407
(3,5-ditert-butyl-4-methoxyphenyl)-methylsilane
CID 123380319
(3,5-ditert-butyl-4-methoxyphenyl)-iodophosphane
CID 174881075
CID 58741303
CID 58741303
1,3-ditert-butyl-2-methoxy-5-phosphorosobenzene
CID 70140823
1,3-ditert-butyl-5-ethyl-2-methoxybenzene;ethane
CID 143616670
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-methylpropan-1-ol
CID 82297608
1-tert-butyl-2,3,4,5-tetramethoxybenzene
CID 101460863
2-chloro-1-(3,5-ditert-butyl-4-methoxyphenyl)ethanone
CID 82265799
1-tert-butyl-2,3-dimethoxy-4,5-dimethylbenzene
CID 173207102
(7-tert-butyl-1-benzofuran-5-yl)boronic acid
CID 171854408

Frequently Asked Questions

What is the IUPAC name of (3,5-ditert-butyl-4-methoxyphenyl)boronic acid?
The IUPAC name of (3,5-ditert-butyl-4-methoxyphenyl)boronic acid (CID 74891306) is (3,5-ditert-butyl-4-methoxyphenyl)boronic acid.
What is the SMILES notation for (3,5-ditert-butyl-4-methoxyphenyl)boronic acid?
The canonical SMILES for (3,5-ditert-butyl-4-methoxyphenyl)boronic acid is COc1c(C(C)(C)C)cc(B(O)O)cc1C(C)(C)C.
What is the InChIKey of (3,5-ditert-butyl-4-methoxyphenyl)boronic acid?
The InChIKey is CIYHLDPTVFBRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BO3/c1-14(2,3)11-8-10(16(17)18)9-12(13(11)19-7)15(4,5)6/h8-9,17-18H,1-7H3.
What are the key properties of (3,5-ditert-butyl-4-methoxyphenyl)boronic acid?
(3,5-ditert-butyl-4-methoxyphenyl)boronic acid has a molecular weight of 264.17 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-ditert-butyl-4-methoxyphenyl)boronic acid is sourced from PubChem (CID 74891306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).