1-phenoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol

C16H25BO4 — CID 132529374

IUPAC1-phenoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
SMILESCC1(C)OB(CCC(O)COc2ccccc2)OC1(C)C
InChIInChI=1S/C16H25BO4/c1-15(2)16(3,4)21-17(20-15)11-10-13(18)12-19-14-8-6-5-7-9-14/h5-9,13,18H,10-12H2,1-4H3
InChIKeyXPLZMFYPPIEBII-UHFFFAOYSA-N
MW292.18 g/mol
LogP2.91
Rot. Bonds6

About 1-phenoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol

1-phenoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol (PubChem CID 132529374) has the molecular formula C16H25BO4 and a molecular weight of 292.18 g/mol. Its IUPAC name is 1-phenoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol.

Molecular Properties

Compound Name1-phenoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
PubChem CID132529374
Molecular FormulaC16H25BO4
Molecular Weight292.18 g/mol
Exact Mass292.18
IUPAC Name1-phenoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
SMILESCC1(C)OB(CCC(O)COc2ccccc2)OC1(C)C
InChIInChI=1S/C16H25BO4/c1-15(2)16(3,4)21-17(20-15)11-10-13(18)12-19-14-8-6-5-7-9-14/h5-9,13,18H,10-12H2,1-4H3
InChIKeyXPLZMFYPPIEBII-UHFFFAOYSA-N
XLogP2.91
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-phenoxyheptan-2-ol
CID 12731443
1-phenoxytetradecan-2-ol
CID 11609222
(2R)-1-fluoro-3-phenoxypropan-2-ol
CID 100942917
3-phenoxypropane-1,2-diol
CID 158587241
3-phenoxypropane-1,2-diol
CID 10857
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]butan-2-ol
CID 59217675
14-phenoxytetradecane-1,13-diol
CID 123918890
actinium;3-phenoxypropane-1,2-diol
CID 22981458
6-hydroxy-2,2-dimethyl-7-phenoxyheptan-3-one
CID 10977882
1-aminooxy-3-phenoxypropan-2-ol
CID 13273091
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
ethane;1-phenoxypropan-2-ol
CID 90926921

Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol?
The IUPAC name of 1-phenoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol (CID 132529374) is 1-phenoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol.
What is the SMILES notation for 1-phenoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol?
The canonical SMILES for 1-phenoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol is CC1(C)OB(CCC(O)COc2ccccc2)OC1(C)C.
What is the InChIKey of 1-phenoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol?
The InChIKey is XPLZMFYPPIEBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BO4/c1-15(2)16(3,4)21-17(20-15)11-10-13(18)12-19-14-8-6-5-7-9-14/h5-9,13,18H,10-12H2,1-4H3.
What are the key properties of 1-phenoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol?
1-phenoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol has a molecular weight of 292.18 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol is sourced from PubChem (CID 132529374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).