2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C19H25BO3 — CID 162402816

IUPAC2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOc1ccc2cc([C@@H](C)B3OC(C)(C)C(C)(C)O3)ccc2c1
InChIInChI=1S/C19H25BO3/c1-13(20-22-18(2,3)19(4,5)23-20)14-7-8-16-12-17(21-6)10-9-15(16)11-14/h7-13H,1-6H3/t13-/m1/s1
InChIKeyAPMHUMFHVYDLSC-CYBMUJFWSA-N
MW312.22 g/mol
LogP4.58
Rot. Bonds3

About 2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 162402816) has the molecular formula C19H25BO3 and a molecular weight of 312.22 g/mol. Its IUPAC name is 2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID162402816
Molecular FormulaC19H25BO3
Molecular Weight312.22 g/mol
Exact Mass312.19
IUPAC Name2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOc1ccc2cc([C@@H](C)B3OC(C)(C)C(C)(C)O3)ccc2c1
InChIInChI=1S/C19H25BO3/c1-13(20-22-18(2,3)19(4,5)23-20)14-7-8-16-12-17(21-6)10-9-15(16)11-14/h7-13H,1-6H3/t13-/m1/s1
InChIKeyAPMHUMFHVYDLSC-CYBMUJFWSA-N
XLogP4.58
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-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-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 162402816) is 2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is COc1ccc2cc([C@@H](C)B3OC(C)(C)C(C)(C)O3)ccc2c1.
What is the InChIKey of 2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is APMHUMFHVYDLSC-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H25BO3/c1-13(20-22-18(2,3)19(4,5)23-20)14-7-8-16-12-17(21-6)10-9-15(16)11-14/h7-13H,1-6H3/t13-/m1/s1.
What are the key properties of 2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 312.22 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 162402816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).