2-(furan-2-yl)-5,5-diphenyl-1,3,2-dioxaborolan-4-one

C18H13BO4 — CID 170652411

IUPAC2-(furan-2-yl)-5,5-diphenyl-1,3,2-dioxaborolan-4-one
SMILESO=C1OB(c2ccco2)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H13BO4/c20-17-18(14-8-3-1-4-9-14,15-10-5-2-6-11-15)23-19(22-17)16-12-7-13-21-16/h1-13H
InChIKeyLYGGSNOFJRPPDO-UHFFFAOYSA-N
MW304.11 g/mol
LogP2.49
Rot. Bonds3

About 2-(furan-2-yl)-5,5-diphenyl-1,3,2-dioxaborolan-4-one

2-(furan-2-yl)-5,5-diphenyl-1,3,2-dioxaborolan-4-one (PubChem CID 170652411) has the molecular formula C18H13BO4 and a molecular weight of 304.11 g/mol. Its IUPAC name is 2-(furan-2-yl)-5,5-diphenyl-1,3,2-dioxaborolan-4-one.

Molecular Properties

Compound Name2-(furan-2-yl)-5,5-diphenyl-1,3,2-dioxaborolan-4-one
PubChem CID170652411
Molecular FormulaC18H13BO4
Molecular Weight304.11 g/mol
Exact Mass304.09
IUPAC Name2-(furan-2-yl)-5,5-diphenyl-1,3,2-dioxaborolan-4-one
SMILESO=C1OB(c2ccco2)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H13BO4/c20-17-18(14-8-3-1-4-9-14,15-10-5-2-6-11-15)23-19(22-17)16-12-7-13-21-16/h1-13H
InChIKeyLYGGSNOFJRPPDO-UHFFFAOYSA-N
XLogP2.49
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.11
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-imidazol-2-yl)-5,5-diphenyl-1,3,2-dioxaborolan-4-one
CID 170652460
2-(furan-2-yl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
CID 70892495
5-cyclohexa-1,5-dien-1-yl-2-(3,5-difluorophenyl)-5-phenyl-1,3,2-dioxaborolan-4-one
CID 163959140
3,4-diiodo-5,5-diphenylfuran-2-one
CID 139257538
2,2-diphenylfuran-3-one
CID 154310558
5-oxido-3,3,8,8-tetraphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane-2,7-dione
CID 5256778
furan-2-yl-(1-phenylcyclobutyl)methanone
CID 63947949
(2S)-2-(furan-2-yl)-4,4-diphenyl-1,2-dihydro-3,1-benzoxazine
CID 40527431
3,3-diphenyl-1,4,6,9-tetraoxa-5-phosphoniaspiro[4.4]nonan-2-one
CID 23413662
2-(furan-2-yl)-3-methoxy-1,3,2-benzoxazaborinin-4-one
CID 170652441
4,4,5,5-tetraphenyl-1,3-dioxolan-2-one
CID 86177862
2-(furan-2-yl)-1-(1-phenylcyclobutyl)ethanone
CID 83171953

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5,5-diphenyl-1,3,2-dioxaborolan-4-one?
The IUPAC name of 2-(furan-2-yl)-5,5-diphenyl-1,3,2-dioxaborolan-4-one (CID 170652411) is 2-(furan-2-yl)-5,5-diphenyl-1,3,2-dioxaborolan-4-one.
What is the SMILES notation for 2-(furan-2-yl)-5,5-diphenyl-1,3,2-dioxaborolan-4-one?
The canonical SMILES for 2-(furan-2-yl)-5,5-diphenyl-1,3,2-dioxaborolan-4-one is O=C1OB(c2ccco2)OC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(furan-2-yl)-5,5-diphenyl-1,3,2-dioxaborolan-4-one?
The InChIKey is LYGGSNOFJRPPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BO4/c20-17-18(14-8-3-1-4-9-14,15-10-5-2-6-11-15)23-19(22-17)16-12-7-13-21-16/h1-13H.
What are the key properties of 2-(furan-2-yl)-5,5-diphenyl-1,3,2-dioxaborolan-4-one?
2-(furan-2-yl)-5,5-diphenyl-1,3,2-dioxaborolan-4-one has a molecular weight of 304.11 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5,5-diphenyl-1,3,2-dioxaborolan-4-one is sourced from PubChem (CID 170652411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).