2-(3-ethoxynaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C18H23BO3 — CID 171365344

IUPAC2-(3-ethoxynaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCOc1cc(B2OC(C)(C)C(C)(C)O2)c2ccccc2c1
InChIInChI=1S/C18H23BO3/c1-6-20-14-11-13-9-7-8-10-15(13)16(12-14)19-21-17(2,3)18(4,5)22-19/h7-12H,6H2,1-5H3
InChIKeyQGAQBOABGYNLNU-UHFFFAOYSA-N
MW298.19 g/mol
LogP3.54
Rot. Bonds3

About 2-(3-ethoxynaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(3-ethoxynaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 171365344) has the molecular formula C18H23BO3 and a molecular weight of 298.19 g/mol. Its IUPAC name is 2-(3-ethoxynaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(3-ethoxynaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID171365344
Molecular FormulaC18H23BO3
Molecular Weight298.19 g/mol
Exact Mass298.17
IUPAC Name2-(3-ethoxynaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCOc1cc(B2OC(C)(C)C(C)(C)O2)c2ccccc2c1
InChIInChI=1S/C18H23BO3/c1-6-20-14-11-13-9-7-8-10-15(13)16(12-14)19-21-17(2,3)18(4,5)22-19/h7-12H,6H2,1-5H3
InChIKeyQGAQBOABGYNLNU-UHFFFAOYSA-N
XLogP3.54
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-ethoxynaphthalen-1-yl)-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

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxynaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(3-ethoxynaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 171365344) is 2-(3-ethoxynaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(3-ethoxynaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(3-ethoxynaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCOc1cc(B2OC(C)(C)C(C)(C)O2)c2ccccc2c1.
What is the InChIKey of 2-(3-ethoxynaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is QGAQBOABGYNLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BO3/c1-6-20-14-11-13-9-7-8-10-15(13)16(12-14)19-21-17(2,3)18(4,5)22-19/h7-12H,6H2,1-5H3.
What are the key properties of 2-(3-ethoxynaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(3-ethoxynaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 298.19 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxynaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 171365344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).