2-(2-methoxy-4-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C19H23BO3 — CID 102531751

IUPAC2-(2-methoxy-4-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOc1cc(-c2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C19H23BO3/c1-18(2)19(3,4)23-20(22-18)16-12-11-15(13-17(16)21-5)14-9-7-6-8-10-14/h6-13H,1-5H3
InChIKeyYGNNVAHLKCBQAY-UHFFFAOYSA-N
MW310.20 g/mol
LogP3.66
Rot. Bonds3

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

2-(2-methoxy-4-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 102531751) has the molecular formula C19H23BO3 and a molecular weight of 310.20 g/mol. Its IUPAC name is 2-(2-methoxy-4-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(2-methoxy-4-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID102531751
Molecular FormulaC19H23BO3
Molecular Weight310.20 g/mol
Exact Mass310.17
IUPAC Name2-(2-methoxy-4-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOc1cc(-c2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C19H23BO3/c1-18(2)19(3,4)23-20(22-18)16-12-11-15(13-17(16)21-5)14-9-7-6-8-10-14/h6-13H,1-5H3
InChIKeyYGNNVAHLKCBQAY-UHFFFAOYSA-N
XLogP3.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-(2-methoxy-4-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(2-methoxy-4-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 102531751) is 2-(2-methoxy-4-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(2-methoxy-4-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(2-methoxy-4-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is COc1cc(-c2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-(2-methoxy-4-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is YGNNVAHLKCBQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BO3/c1-18(2)19(3,4)23-20(22-18)16-12-11-15(13-17(16)21-5)14-9-7-6-8-10-14/h6-13H,1-5H3.
What are the key properties of 2-(2-methoxy-4-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(2-methoxy-4-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 310.20 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 102531751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).