methyl-naphthalen-1-yl-phenylborane

C17H15B — CID 20646116

IUPACmethyl-naphthalen-1-yl-phenylborane
SMILESCB(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C17H15B/c1-18(15-10-3-2-4-11-15)17-13-7-9-14-8-5-6-12-16(14)17/h2-13H,1H3
InChIKeyOBERPEOLFHDCLE-UHFFFAOYSA-N
MW230.12 g/mol
LogP3.08
Rot. Bonds2

About methyl-naphthalen-1-yl-phenylborane

methyl-naphthalen-1-yl-phenylborane (PubChem CID 20646116) has the molecular formula C17H15B and a molecular weight of 230.12 g/mol. Its IUPAC name is methyl-naphthalen-1-yl-phenylborane.

Molecular Properties

Compound Namemethyl-naphthalen-1-yl-phenylborane
PubChem CID20646116
Molecular FormulaC17H15B
Molecular Weight230.12 g/mol
Exact Mass230.13
IUPAC Namemethyl-naphthalen-1-yl-phenylborane
SMILESCB(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C17H15B/c1-18(15-10-3-2-4-11-15)17-13-7-9-14-8-5-6-12-16(14)17/h2-13H,1H3
InChIKeyOBERPEOLFHDCLE-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.12
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-naphthalen-1-yl-phenylborane?
The IUPAC name of methyl-naphthalen-1-yl-phenylborane (CID 20646116) is methyl-naphthalen-1-yl-phenylborane.
What is the SMILES notation for methyl-naphthalen-1-yl-phenylborane?
The canonical SMILES for methyl-naphthalen-1-yl-phenylborane is CB(c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of methyl-naphthalen-1-yl-phenylborane?
The InChIKey is OBERPEOLFHDCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15B/c1-18(15-10-3-2-4-11-15)17-13-7-9-14-8-5-6-12-16(14)17/h2-13H,1H3.
What are the key properties of methyl-naphthalen-1-yl-phenylborane?
methyl-naphthalen-1-yl-phenylborane has a molecular weight of 230.12 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-naphthalen-1-yl-phenylborane is sourced from PubChem (CID 20646116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).