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

C16H25BO4 — CID 71306552

IUPAC2-[4-(2-methoxyethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOCCOCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C16H25BO4/c1-15(2)16(3,4)21-17(20-15)14-8-6-13(7-9-14)12-19-11-10-18-5/h6-9H,10-12H2,1-5H3
InChIKeyLUXOGZXYNLIHRM-UHFFFAOYSA-N
MW292.18 g/mol
LogP2.15
Rot. Bonds6

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

2-[4-(2-methoxyethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 71306552) has the molecular formula C16H25BO4 and a molecular weight of 292.18 g/mol. Its IUPAC name is 2-[4-(2-methoxyethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[4-(2-methoxyethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID71306552
Molecular FormulaC16H25BO4
Molecular Weight292.18 g/mol
Exact Mass292.18
IUPAC Name2-[4-(2-methoxyethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOCCOCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C16H25BO4/c1-15(2)16(3,4)21-17(20-15)14-8-6-13(7-9-14)12-19-11-10-18-5/h6-9H,10-12H2,1-5H3
InChIKeyLUXOGZXYNLIHRM-UHFFFAOYSA-N
XLogP2.15
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(2-methoxyethoxymethyl)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 butyl ether
CID 61134
2-Methyl-2-phenyl-1,3-dioxolane
CID 138006
Ethylene Glycol Dibenzyl Ether
CID 222542
4-(Hydroxymethyl)benzeneboronic acid pinacol ester
CID 11402050
[(2-Methoxyethoxy)methyl]benzene
CID 35855
Benzyl tert-butyl ether
CID 561155
2,2-Dimethyl-4-((phenylmethoxy)methyl)-1,3-dioxolane
CID 85795
Benzene, [(pentyloxy)methyl]-
CID 80800
Benzyl hexyl ether
CID 3587332
2-(Methoxymethyl)benzeneboronic acid
CID 3759408
(E)-2-(3-(benzyloxy)prop-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 14141556
[[(3Z)-3-Hexenyloxy]methyl]benzene
CID 14907428

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[4-(2-methoxyethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 71306552) is 2-[4-(2-methoxyethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[4-(2-methoxyethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[4-(2-methoxyethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is COCCOCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1.
What is the InChIKey of 2-[4-(2-methoxyethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is LUXOGZXYNLIHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BO4/c1-15(2)16(3,4)21-17(20-15)14-8-6-13(7-9-14)12-19-11-10-18-5/h6-9H,10-12H2,1-5H3.
What are the key properties of 2-[4-(2-methoxyethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[4-(2-methoxyethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 292.18 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 71306552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).