[4-phenyl-2,6-di(propan-2-yl)phenyl]boronic acid

C18H23BO2 — CID 155616354

IUPAC[4-phenyl-2,6-di(propan-2-yl)phenyl]boronic acid
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1B(O)O
InChIInChI=1S/C18H23BO2/c1-12(2)16-10-15(14-8-6-5-7-9-14)11-17(13(3)4)18(16)19(20)21/h5-13,20-21H,1-4H3
InChIKeyAQQZWMKSRPTZTQ-UHFFFAOYSA-N
MW282.19 g/mol
LogP3.28
Rot. Bonds4

About [4-phenyl-2,6-di(propan-2-yl)phenyl]boronic acid

[4-phenyl-2,6-di(propan-2-yl)phenyl]boronic acid (PubChem CID 155616354) has the molecular formula C18H23BO2 and a molecular weight of 282.19 g/mol. Its IUPAC name is [4-phenyl-2,6-di(propan-2-yl)phenyl]boronic acid.

Molecular Properties

Compound Name[4-phenyl-2,6-di(propan-2-yl)phenyl]boronic acid
PubChem CID155616354
Molecular FormulaC18H23BO2
Molecular Weight282.19 g/mol
Exact Mass282.18
IUPAC Name[4-phenyl-2,6-di(propan-2-yl)phenyl]boronic acid
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1B(O)O
InChIInChI=1S/C18H23BO2/c1-12(2)16-10-15(14-8-6-5-7-9-14)11-17(13(3)4)18(16)19(20)21/h5-13,20-21H,1-4H3
InChIKeyAQQZWMKSRPTZTQ-UHFFFAOYSA-N
XLogP3.28
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-phenyl-1,3-di(propan-2-yl)benzene
CID 140720985
CID 171468303
CID 171468303
2-chloro-4-phenyl-6-propan-2-ylphenol
CID 146604618
2-isocyano-5-phenyl-1,3-di(propan-2-yl)benzene
CID 139123948
4-phenyl-2-propan-2-ylbenzaldehyde
CID 14895374
1-fluoro-4-phenyl-2-propan-2-ylbenzene
CID 134581183
[4-phenyl-2,6-di(propanoyl)phenyl]boronic acid
CID 175202639
1-ethyl-2-fluoro-5-phenyl-3-propan-2-ylbenzene
CID 142366211
(3,5-dimethyl-2,6-diphenylphenyl)boronic acid
CID 178131684
2-[[(2-hydroxy-5-phenyl-3-propan-2-ylphenyl)methylideneamino]methyliminomethyl]-4-phenyl-6-propan-2-ylphenol
CID 137029937
ethane;1,3,5-triphenylbenzene
CID 142123051
azulene;boric acid
CID 175218967

Frequently Asked Questions

What is the IUPAC name of [4-phenyl-2,6-di(propan-2-yl)phenyl]boronic acid?
The IUPAC name of [4-phenyl-2,6-di(propan-2-yl)phenyl]boronic acid (CID 155616354) is [4-phenyl-2,6-di(propan-2-yl)phenyl]boronic acid.
What is the SMILES notation for [4-phenyl-2,6-di(propan-2-yl)phenyl]boronic acid?
The canonical SMILES for [4-phenyl-2,6-di(propan-2-yl)phenyl]boronic acid is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1B(O)O.
What is the InChIKey of [4-phenyl-2,6-di(propan-2-yl)phenyl]boronic acid?
The InChIKey is AQQZWMKSRPTZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BO2/c1-12(2)16-10-15(14-8-6-5-7-9-14)11-17(13(3)4)18(16)19(20)21/h5-13,20-21H,1-4H3.
What are the key properties of [4-phenyl-2,6-di(propan-2-yl)phenyl]boronic acid?
[4-phenyl-2,6-di(propan-2-yl)phenyl]boronic acid has a molecular weight of 282.19 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-phenyl-2,6-di(propan-2-yl)phenyl]boronic acid is sourced from PubChem (CID 155616354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).