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

C14H21BO3 — CID 59882226

IUPAC2-[4-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C14H21BO3/c1-13(2)14(3,4)18-15(17-13)12-8-6-11(7-9-12)10-16-5/h6-9H,10H2,1-5H3
InChIKeyAYKXQFSQDGLWAB-UHFFFAOYSA-N
MW248.13 g/mol
LogP2.13
Rot. Bonds3

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

2-[4-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 59882226) has the molecular formula C14H21BO3 and a molecular weight of 248.13 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[4-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID59882226
Molecular FormulaC14H21BO3
Molecular Weight248.13 g/mol
Exact Mass248.16
IUPAC Name2-[4-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C14H21BO3/c1-13(2)14(3,4)18-15(17-13)12-8-6-11(7-9-12)10-16-5/h6-9H,10H2,1-5H3
InChIKeyAYKXQFSQDGLWAB-UHFFFAOYSA-N
XLogP2.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.13
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzyl ethyl ether
CID 10873
Benzyl butyl ether
CID 61134
Benzyl methyl ether
CID 10869
Benzyl octyl ether
CID 347508
2-Methyl-2-phenyloxirane
CID 16398
Isoamyl benzyl ether
CID 31227
1-(2-Methoxypropan-2-yl)-4-methylbenzene
CID 14121774
2-Methyl-2-phenyl-1,3-dioxolane
CID 138006
4-(Hydroxymethyl)benzeneboronic acid pinacol ester
CID 11402050
Methyl cumyl ether
CID 70289
2H-Pyran, 3,6-dihydro-4,6-dimethyl-2-phenyl-
CID 107070
(1-Methoxyethyl)benzene
CID 19913

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[4-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 59882226) is 2-[4-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[4-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[4-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is COCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1.
What is the InChIKey of 2-[4-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is AYKXQFSQDGLWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BO3/c1-13(2)14(3,4)18-15(17-13)12-8-6-11(7-9-12)10-16-5/h6-9H,10H2,1-5H3.
What are the key properties of 2-[4-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[4-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 248.13 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 59882226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).