2-(4-benzylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C19H23BO2 — CID 46739038

IUPAC2-(4-benzylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc(Cc3ccccc3)cc2)OC1(C)C
InChIInChI=1S/C19H23BO2/c1-18(2)19(3,4)22-20(21-18)17-12-10-16(11-13-17)14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3
InChIKeyFPLGWDLJBAAWHO-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.58
Rot. Bonds3

About 2-(4-benzylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(4-benzylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 46739038) has the molecular formula C19H23BO2 and a molecular weight of 294.20 g/mol. Its IUPAC name is 2-(4-benzylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(4-benzylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID46739038
Molecular FormulaC19H23BO2
Molecular Weight294.20 g/mol
Exact Mass294.18
IUPAC Name2-(4-benzylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc(Cc3ccccc3)cc2)OC1(C)C
InChIInChI=1S/C19H23BO2/c1-18(2)19(3,4)22-20(21-18)17-12-10-16(11-13-17)14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3
InChIKeyFPLGWDLJBAAWHO-UHFFFAOYSA-N
XLogP3.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 151253
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CID 2734315
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CID 11989651
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CID 4589187
CID 4589187
CID 5708413
CID 5708413
CID 57391611
CID 57391611
CID 57396519
CID 57396519
CID 16218154
CID 16218154
CID 2757248
CID 2757248
CID 2760174
CID 2760174
CID 2760598
CID 2760598
CID 2760604
CID 2760604

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(4-benzylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 46739038) is 2-(4-benzylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(4-benzylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(4-benzylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(c2ccc(Cc3ccccc3)cc2)OC1(C)C.
What is the InChIKey of 2-(4-benzylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is FPLGWDLJBAAWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BO2/c1-18(2)19(3,4)22-20(21-18)17-12-10-16(11-13-17)14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3.
What are the key properties of 2-(4-benzylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(4-benzylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 294.20 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 46739038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).