4,4,5,5-tetramethyl-2-[4-(3-methylphenyl)phenyl]-1,3,2-dioxaborolane

C19H23BO2 — CID 131375544

IUPAC4,4,5,5-tetramethyl-2-[4-(3-methylphenyl)phenyl]-1,3,2-dioxaborolane
SMILESCc1cccc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c1
InChIInChI=1S/C19H23BO2/c1-14-7-6-8-16(13-14)15-9-11-17(12-10-15)20-21-18(2,3)19(4,5)22-20/h6-13H,1-5H3
InChIKeyHGCGJJLNXNVWRM-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.96
Rot. Bonds2

About 4,4,5,5-tetramethyl-2-[4-(3-methylphenyl)phenyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[4-(3-methylphenyl)phenyl]-1,3,2-dioxaborolane (PubChem CID 131375544) has the molecular formula C19H23BO2 and a molecular weight of 294.20 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[4-(3-methylphenyl)phenyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[4-(3-methylphenyl)phenyl]-1,3,2-dioxaborolane
PubChem CID131375544
Molecular FormulaC19H23BO2
Molecular Weight294.20 g/mol
Exact Mass294.18
IUPAC Name4,4,5,5-tetramethyl-2-[4-(3-methylphenyl)phenyl]-1,3,2-dioxaborolane
SMILESCc1cccc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c1
InChIInChI=1S/C19H23BO2/c1-14-7-6-8-16(13-14)15-9-11-17(12-10-15)20-21-18(2,3)19(4,5)22-20/h6-13H,1-5H3
InChIKeyHGCGJJLNXNVWRM-UHFFFAOYSA-N
XLogP3.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[4-(3-methylphenyl)phenyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[4-(3-methylphenyl)phenyl]-1,3,2-dioxaborolane (CID 131375544) is 4,4,5,5-tetramethyl-2-[4-(3-methylphenyl)phenyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[4-(3-methylphenyl)phenyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[4-(3-methylphenyl)phenyl]-1,3,2-dioxaborolane is Cc1cccc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[4-(3-methylphenyl)phenyl]-1,3,2-dioxaborolane?
The InChIKey is HGCGJJLNXNVWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BO2/c1-14-7-6-8-16(13-14)15-9-11-17(12-10-15)20-21-18(2,3)19(4,5)22-20/h6-13H,1-5H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[4-(3-methylphenyl)phenyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[4-(3-methylphenyl)phenyl]-1,3,2-dioxaborolane has a molecular weight of 294.20 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[4-(3-methylphenyl)phenyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 131375544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).