2-(4-methylnaphthalen-2-yl)-1,3,2-dioxaborolane

C13H13BO2 — CID 160831518

IUPAC2-(4-methylnaphthalen-2-yl)-1,3,2-dioxaborolane
SMILESCc1cc(B2OCCO2)cc2ccccc12
InChIInChI=1S/C13H13BO2/c1-10-8-12(14-15-6-7-16-14)9-11-4-2-3-5-13(10)11/h2-5,8-9H,6-7H2,1H3
InChIKeySGVZHNWNGUAJKI-UHFFFAOYSA-N
MW212.06 g/mol
LogP1.89
Rot. Bonds1

About 2-(4-methylnaphthalen-2-yl)-1,3,2-dioxaborolane

2-(4-methylnaphthalen-2-yl)-1,3,2-dioxaborolane (PubChem CID 160831518) has the molecular formula C13H13BO2 and a molecular weight of 212.06 g/mol. Its IUPAC name is 2-(4-methylnaphthalen-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(4-methylnaphthalen-2-yl)-1,3,2-dioxaborolane
PubChem CID160831518
Molecular FormulaC13H13BO2
Molecular Weight212.06 g/mol
Exact Mass212.10
IUPAC Name2-(4-methylnaphthalen-2-yl)-1,3,2-dioxaborolane
SMILESCc1cc(B2OCCO2)cc2ccccc12
InChIInChI=1S/C13H13BO2/c1-10-8-12(14-15-6-7-16-14)9-11-4-2-3-5-13(10)11/h2-5,8-9H,6-7H2,1H3
InChIKeySGVZHNWNGUAJKI-UHFFFAOYSA-N
XLogP1.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.06
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-methylnaphthalen-2-yl)-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

2-(2-methylnaphthalen-1-yl)-1,3,2-dioxaborolane
CID 11321807
1-methyl-3-(4-methylnaphthalen-2-yl)naphthalene
CID 58049667
1,3-dimethylnaphthalene;ethane
CID 145447624
2-[3-methyl-4-(2-methylnaphthalen-1-yl)naphthalen-1-yl]-1,3,2-dioxaborolane
CID 142690056
3-iodo-1-methylnaphthalene
CID 11715949
3-bromo-1-methylnaphthalene
CID 18673607
1-methyl-3-[(4-methylnaphthalen-2-yl)methyl]naphthalene
CID 54470765
ethane;4-methylnaphthalen-2-amine
CID 144829259
ethane;methane;9-methylphenanthrene
CID 169171289
ethane;methane;9-methylphenanthrene
CID 144916914
1-(4-methylnaphthalen-2-yl)pyrrolidine
CID 102172515
10-methylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 24939091

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylnaphthalen-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 2-(4-methylnaphthalen-2-yl)-1,3,2-dioxaborolane (CID 160831518) is 2-(4-methylnaphthalen-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(4-methylnaphthalen-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 2-(4-methylnaphthalen-2-yl)-1,3,2-dioxaborolane is Cc1cc(B2OCCO2)cc2ccccc12.
What is the InChIKey of 2-(4-methylnaphthalen-2-yl)-1,3,2-dioxaborolane?
The InChIKey is SGVZHNWNGUAJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BO2/c1-10-8-12(14-15-6-7-16-14)9-11-4-2-3-5-13(10)11/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 2-(4-methylnaphthalen-2-yl)-1,3,2-dioxaborolane?
2-(4-methylnaphthalen-2-yl)-1,3,2-dioxaborolane has a molecular weight of 212.06 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylnaphthalen-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 160831518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).