2-phenylbenzo[g][1,3,2]benzodioxaborole

C16H11BO2 — CID 172742633

IUPAC2-phenylbenzo[g][1,3,2]benzodioxaborole
SMILESc1ccc(B2Oc3ccc4ccccc4c3O2)cc1
InChIInChI=1S/C16H11BO2/c1-2-7-13(8-3-1)17-18-15-11-10-12-6-4-5-9-14(12)16(15)19-17/h1-11H
InChIKeyJHMOZGHPVSYGQR-UHFFFAOYSA-N
MW246.07 g/mol
LogP3.01
Rot. Bonds1

About 2-phenylbenzo[g][1,3,2]benzodioxaborole

2-phenylbenzo[g][1,3,2]benzodioxaborole (PubChem CID 172742633) has the molecular formula C16H11BO2 and a molecular weight of 246.07 g/mol. Its IUPAC name is 2-phenylbenzo[g][1,3,2]benzodioxaborole.

Molecular Properties

Compound Name2-phenylbenzo[g][1,3,2]benzodioxaborole
PubChem CID172742633
Molecular FormulaC16H11BO2
Molecular Weight246.07 g/mol
Exact Mass246.09
IUPAC Name2-phenylbenzo[g][1,3,2]benzodioxaborole
SMILESc1ccc(B2Oc3ccc4ccccc4c3O2)cc1
InChIInChI=1S/C16H11BO2/c1-2-7-13(8-3-1)17-18-15-11-10-12-6-4-5-9-14(12)16(15)19-17/h1-11H
InChIKeyJHMOZGHPVSYGQR-UHFFFAOYSA-N
XLogP3.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.07
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4'-spirobi[3,5-dioxa-4-boranuidatricyclo[7.4.0.02,6]trideca-1(13),2(6),7,9,11-pentaene]
CID 58795481
9-bromobenzo[a]oxanthrene
CID 142294271
phenanthrene;phosphane
CID 161431298
phenanthrene;sulfane
CID 159172584
4-(1,3,2-benzodioxaborol-2-yl)pyridine
CID 140881599
2-ethenylbenzo[g][1,3]benzodioxole
CID 176766082
12H-benzo[a]xanthene;hydrate
CID 174249358
14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2,4,6,8,10,12,16,18,20,22-undecaene
CID 171757612
benzo[a]oxanthren-10-ylboronic acid;ethane
CID 142294193
1,1'-biphenyl;naphthalene;phenanthrene
CID 157410235
2-(4-tert-butylphenyl)-1,3,2-benzodioxaborole
CID 102341645
2-methyl-13-oxa-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 58185057

Frequently Asked Questions

What is the IUPAC name of 2-phenylbenzo[g][1,3,2]benzodioxaborole?
The IUPAC name of 2-phenylbenzo[g][1,3,2]benzodioxaborole (CID 172742633) is 2-phenylbenzo[g][1,3,2]benzodioxaborole.
What is the SMILES notation for 2-phenylbenzo[g][1,3,2]benzodioxaborole?
The canonical SMILES for 2-phenylbenzo[g][1,3,2]benzodioxaborole is c1ccc(B2Oc3ccc4ccccc4c3O2)cc1.
What is the InChIKey of 2-phenylbenzo[g][1,3,2]benzodioxaborole?
The InChIKey is JHMOZGHPVSYGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BO2/c1-2-7-13(8-3-1)17-18-15-11-10-12-6-4-5-9-14(12)16(15)19-17/h1-11H.
What are the key properties of 2-phenylbenzo[g][1,3,2]benzodioxaborole?
2-phenylbenzo[g][1,3,2]benzodioxaborole has a molecular weight of 246.07 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylbenzo[g][1,3,2]benzodioxaborole is sourced from PubChem (CID 172742633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).