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

C19H23BO4 — CID 66915674

IUPAC2-(2-methoxy-4-phenoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOc1cc(Oc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C19H23BO4/c1-18(2)19(3,4)24-20(23-18)16-12-11-15(13-17(16)21-5)22-14-9-7-6-8-10-14/h6-13H,1-5H3
InChIKeyIXFWWUHSQAESGG-UHFFFAOYSA-N
MW326.20 g/mol
LogP3.79
Rot. Bonds4

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

2-(2-methoxy-4-phenoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 66915674) has the molecular formula C19H23BO4 and a molecular weight of 326.20 g/mol. Its IUPAC name is 2-(2-methoxy-4-phenoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(2-methoxy-4-phenoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID66915674
Molecular FormulaC19H23BO4
Molecular Weight326.20 g/mol
Exact Mass326.17
IUPAC Name2-(2-methoxy-4-phenoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOc1cc(Oc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C19H23BO4/c1-18(2)19(3,4)24-20(23-18)16-12-11-15(13-17(16)21-5)22-14-9-7-6-8-10-14/h6-13H,1-5H3
InChIKeyIXFWWUHSQAESGG-UHFFFAOYSA-N
XLogP3.79
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-phenoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(2-methoxy-4-phenoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 66915674) is 2-(2-methoxy-4-phenoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(2-methoxy-4-phenoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(2-methoxy-4-phenoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is COc1cc(Oc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-(2-methoxy-4-phenoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is IXFWWUHSQAESGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BO4/c1-18(2)19(3,4)24-20(23-18)16-12-11-15(13-17(16)21-5)22-14-9-7-6-8-10-14/h6-13H,1-5H3.
What are the key properties of 2-(2-methoxy-4-phenoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(2-methoxy-4-phenoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 326.20 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-phenoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 66915674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).