(3,5-dimethyl-2,6-diphenylphenyl)boronic acid

C20H19BO2 — CID 178131684

IUPAC(3,5-dimethyl-2,6-diphenylphenyl)boronic acid
SMILESCc1cc(C)c(-c2ccccc2)c(B(O)O)c1-c1ccccc1
InChIInChI=1S/C20H19BO2/c1-14-13-15(2)19(17-11-7-4-8-12-17)20(21(22)23)18(14)16-9-5-3-6-10-16/h3-13,22-23H,1-2H3
InChIKeyJZGCREIQQABDIF-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.32
Rot. Bonds3

About (3,5-dimethyl-2,6-diphenylphenyl)boronic acid

(3,5-dimethyl-2,6-diphenylphenyl)boronic acid (PubChem CID 178131684) has the molecular formula C20H19BO2 and a molecular weight of 302.18 g/mol. Its IUPAC name is (3,5-dimethyl-2,6-diphenylphenyl)boronic acid.

Molecular Properties

Compound Name(3,5-dimethyl-2,6-diphenylphenyl)boronic acid
PubChem CID178131684
Molecular FormulaC20H19BO2
Molecular Weight302.18 g/mol
Exact Mass302.15
IUPAC Name(3,5-dimethyl-2,6-diphenylphenyl)boronic acid
SMILESCc1cc(C)c(-c2ccccc2)c(B(O)O)c1-c1ccccc1
InChIInChI=1S/C20H19BO2/c1-14-13-15(2)19(17-11-7-4-8-12-17)20(21(22)23)18(14)16-9-5-3-6-10-16/h3-13,22-23H,1-2H3
InChIKeyJZGCREIQQABDIF-UHFFFAOYSA-N
XLogP3.32
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.32
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

1,2,3,5-tetramethyl-4-phenylbenzene
CID 14973977
1,2,5-trimethyl-3,4-diphenylbenzene
CID 19420158
1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene
CID 135033708
(2,4,6-trifluoro-3-phenylphenyl)boronic acid
CID 155675597
5-methyl-4-phenylbenzene-1,2,3-triol
CID 101299656
N-(3,5-dimethyl-4-phenylphenyl)-3,5-dimethyl-4-phenylaniline
CID 167515773
2-tert-butyl-3,5-dimethyl-4-phenylphenol
CID 142778103
[4-phenyl-2,6-di(propan-2-yl)phenyl]boronic acid
CID 155616354
CID 140811984
CID 140811984
CID 164529176
CID 164529176
3-methyl-2-phenylnaphthalen-1-ol
CID 68536757
9-(3-methyl-4-phenylnaphthalen-1-yl)-10-phenylanthracene
CID 140762183

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-2,6-diphenylphenyl)boronic acid?
The IUPAC name of (3,5-dimethyl-2,6-diphenylphenyl)boronic acid (CID 178131684) is (3,5-dimethyl-2,6-diphenylphenyl)boronic acid.
What is the SMILES notation for (3,5-dimethyl-2,6-diphenylphenyl)boronic acid?
The canonical SMILES for (3,5-dimethyl-2,6-diphenylphenyl)boronic acid is Cc1cc(C)c(-c2ccccc2)c(B(O)O)c1-c1ccccc1.
What is the InChIKey of (3,5-dimethyl-2,6-diphenylphenyl)boronic acid?
The InChIKey is JZGCREIQQABDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BO2/c1-14-13-15(2)19(17-11-7-4-8-12-17)20(21(22)23)18(14)16-9-5-3-6-10-16/h3-13,22-23H,1-2H3.
What are the key properties of (3,5-dimethyl-2,6-diphenylphenyl)boronic acid?
(3,5-dimethyl-2,6-diphenylphenyl)boronic acid has a molecular weight of 302.18 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-2,6-diphenylphenyl)boronic acid is sourced from PubChem (CID 178131684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).