2-phenyl-1,3,2-dioxaborinan-5-ol

C9H11BO3 — CID 25062374

IUPAC2-phenyl-1,3,2-dioxaborinan-5-ol
SMILESOC1COB(c2ccccc2)OC1
InChIInChI=1S/C9H11BO3/c11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2
InChIKeyXETZALCKYDYUBO-UHFFFAOYSA-N
MW178.00 g/mol
LogP-0.21
Rot. Bonds1

About 2-phenyl-1,3,2-dioxaborinan-5-ol

2-phenyl-1,3,2-dioxaborinan-5-ol (PubChem CID 25062374) has the molecular formula C9H11BO3 and a molecular weight of 178.00 g/mol. Its IUPAC name is 2-phenyl-1,3,2-dioxaborinan-5-ol.

Molecular Properties

Compound Name2-phenyl-1,3,2-dioxaborinan-5-ol
PubChem CID25062374
Molecular FormulaC9H11BO3
Molecular Weight178.00 g/mol
Exact Mass178.08
IUPAC Name2-phenyl-1,3,2-dioxaborinan-5-ol
SMILESOC1COB(c2ccccc2)OC1
InChIInChI=1S/C9H11BO3/c11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2
InChIKeyXETZALCKYDYUBO-UHFFFAOYSA-N
XLogP-0.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.00
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R,4aS,8aS)-2,6-diphenyl-4-[(4S)-2-phenyl-1,3,2-dioxaborolan-4-yl]-4,4a,8,8a-tetrahydro-[1,3,2]dioxaborinino[5,4-d][1,3,2]dioxaborinine
CID 16678015
(4S,5S)-2-phenyl-4,5-bis[(4R)-2-phenyl-1,3,2-dioxaborolan-4-yl]-1,3,2-dioxaborolane
CID 124930928
4-(2,2-dimethylpropyl)-2-phenyl-1,3,2-dioxaborolane
CID 177091205
6-methyl-2-phenyl-1,3,6,2-dioxazaborocane
CID 15375366
7-methoxy-4,12-diphenyl-3,5,8,11,13-pentaoxa-4,12-diboratricyclo[7.4.0.02,6]tridecane
CID 589798
2,6-diphenyl-1,3,6,2-dioxazaborocane
CID 123134321
(3aR,7aR)-2-phenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaborole
CID 124629415
9-methoxy-4,12,14-triphenyl-3,5,8,11,13,15-hexaoxa-4,12,14-triboratricyclo[8.5.0.02,7]pentadecane
CID 589657
(3S,5R)-5-phenyloxolan-3-ol
CID 97052112
(1S,2S,6S,8S)-4,10-diphenyl-3,5,9,11-tetraoxa-4,10-diboratricyclo[6.3.0.02,6]undecane
CID 10542649
(2S,4R,6R)-2-(4-bromophenyl)-6-phenyloxan-4-ol
CID 101086395
(1S,7R,8R,9R)-7-(hydroxymethyl)-3-phenyl-2,4,6-trioxa-3-borabicyclo[3.2.2]nonane-8,9-diol
CID 90115813

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,3,2-dioxaborinan-5-ol?
The IUPAC name of 2-phenyl-1,3,2-dioxaborinan-5-ol (CID 25062374) is 2-phenyl-1,3,2-dioxaborinan-5-ol.
What is the SMILES notation for 2-phenyl-1,3,2-dioxaborinan-5-ol?
The canonical SMILES for 2-phenyl-1,3,2-dioxaborinan-5-ol is OC1COB(c2ccccc2)OC1.
What is the InChIKey of 2-phenyl-1,3,2-dioxaborinan-5-ol?
The InChIKey is XETZALCKYDYUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BO3/c11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2.
What are the key properties of 2-phenyl-1,3,2-dioxaborinan-5-ol?
2-phenyl-1,3,2-dioxaborinan-5-ol has a molecular weight of 178.00 g/mol, XLogP of -0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,3,2-dioxaborinan-5-ol is sourced from PubChem (CID 25062374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).