2-(3-phenoxyphenyl)-1,3,2-dioxaborinane

C15H15BO3 — CID 18541713

IUPAC2-(3-phenoxyphenyl)-1,3,2-dioxaborinane
SMILESc1ccc(Oc2cccc(B3OCCCO3)c2)cc1
InChIInChI=1S/C15H15BO3/c1-2-7-14(8-3-1)19-15-9-4-6-13(12-15)16-17-10-5-11-18-16/h1-4,6-9,12H,5,10-11H2
InChIKeyRWBKRVQPKWBYNU-UHFFFAOYSA-N
MW254.09 g/mol
LogP2.61
Rot. Bonds3

About 2-(3-phenoxyphenyl)-1,3,2-dioxaborinane

2-(3-phenoxyphenyl)-1,3,2-dioxaborinane (PubChem CID 18541713) has the molecular formula C15H15BO3 and a molecular weight of 254.09 g/mol. Its IUPAC name is 2-(3-phenoxyphenyl)-1,3,2-dioxaborinane.

Molecular Properties

Compound Name2-(3-phenoxyphenyl)-1,3,2-dioxaborinane
PubChem CID18541713
Molecular FormulaC15H15BO3
Molecular Weight254.09 g/mol
Exact Mass254.11
IUPAC Name2-(3-phenoxyphenyl)-1,3,2-dioxaborinane
SMILESc1ccc(Oc2cccc(B3OCCCO3)c2)cc1
InChIInChI=1S/C15H15BO3/c1-2-7-14(8-3-1)19-15-9-4-6-13(12-15)16-17-10-5-11-18-16/h1-4,6-9,12H,5,10-11H2
InChIKeyRWBKRVQPKWBYNU-UHFFFAOYSA-N
XLogP2.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.09
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

oxolane;phenoxybenzene
CID 22620896
2-[3-(4-chlorophenoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 86681306
2,4,6-tris(4-phenoxyphenyl)-1,3,5,2,4,6-trioxatriborinane
CID 11006440
oxophosphanium;phenoxybenzene
CID 161329594
CID 159259752
CID 159259752
iron;phenoxybenzene
CID 174434720
potassium phenoxybenzene
CID 19858586
4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]benzaldehyde
CID 167740881
1-phenoxy-4-(3-phenylphenoxy)benzene
CID 14832823
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;1,3-diphenoxybenzene
CID 159581069
2,6-dimethyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine
CID 164751136

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenoxyphenyl)-1,3,2-dioxaborinane?
The IUPAC name of 2-(3-phenoxyphenyl)-1,3,2-dioxaborinane (CID 18541713) is 2-(3-phenoxyphenyl)-1,3,2-dioxaborinane.
What is the SMILES notation for 2-(3-phenoxyphenyl)-1,3,2-dioxaborinane?
The canonical SMILES for 2-(3-phenoxyphenyl)-1,3,2-dioxaborinane is c1ccc(Oc2cccc(B3OCCCO3)c2)cc1.
What is the InChIKey of 2-(3-phenoxyphenyl)-1,3,2-dioxaborinane?
The InChIKey is RWBKRVQPKWBYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BO3/c1-2-7-14(8-3-1)19-15-9-4-6-13(12-15)16-17-10-5-11-18-16/h1-4,6-9,12H,5,10-11H2.
What are the key properties of 2-(3-phenoxyphenyl)-1,3,2-dioxaborinane?
2-(3-phenoxyphenyl)-1,3,2-dioxaborinane has a molecular weight of 254.09 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenoxyphenyl)-1,3,2-dioxaborinane is sourced from PubChem (CID 18541713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).