(2R,3S)-3-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol

C16H25BO3 — CID 154718483

IUPAC(2R,3S)-3-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
SMILESC[C@@H](c1ccccc1)[C@@](C)(O)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H25BO3/c1-12(13-10-8-7-9-11-13)16(6,18)17-19-14(2,3)15(4,5)20-17/h7-12,18H,1-6H3/t12-,16+/m0/s1
InChIKeyXLAKLNIRXYRKPL-BLLLJJGKSA-N
MW276.19 g/mol
LogP3.17
Rot. Bonds3

About (2R,3S)-3-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol

(2R,3S)-3-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol (PubChem CID 154718483) has the molecular formula C16H25BO3 and a molecular weight of 276.19 g/mol. Its IUPAC name is (2R,3S)-3-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
PubChem CID154718483
Molecular FormulaC16H25BO3
Molecular Weight276.19 g/mol
Exact Mass276.19
IUPAC Name(2R,3S)-3-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
SMILESC[C@@H](c1ccccc1)[C@@](C)(O)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H25BO3/c1-12(13-10-8-7-9-11-13)16(6,18)17-19-14(2,3)15(4,5)20-17/h7-12,18H,1-6H3/t12-,16+/m0/s1
InChIKeyXLAKLNIRXYRKPL-BLLLJJGKSA-N
XLogP3.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.19
LogP ≤ 53.17
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

2-amino-3-phenylbutan-2-ol
CID 68615274
2-(2,3-diphenylpentan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 132567785
1,1-dimethoxy-2-phenylpropan-1-ol
CID 102056743
4,4,5,5-tetramethyl-2-(1-phenylethoxy)-1,3,2-dioxaborolane
CID 102508609
[(2S)-3-methoxy-3-methylbutan-2-yl]benzene
CID 67208370
(3R,4R)-2,3-dimethyl-4-phenylpent-1-en-3-ol
CID 10261932
(S)-phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol
CID 99773699
cumene;hydrogen peroxide
CID 21225480
2-methylpropan-2-ol;1-phenylethanol
CID 160949043
phenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine
CID 174108740
cumene;2-hydroperoxypropan-2-ol
CID 175197526
4,4,5,5-tetramethyl-2-[(1R)-1-phenyl-2,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane
CID 139203595

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol?
The IUPAC name of (2R,3S)-3-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol (CID 154718483) is (2R,3S)-3-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol.
What is the SMILES notation for (2R,3S)-3-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol?
The canonical SMILES for (2R,3S)-3-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol is C[C@@H](c1ccccc1)[C@@](C)(O)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of (2R,3S)-3-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol?
The InChIKey is XLAKLNIRXYRKPL-BLLLJJGKSA-N. The full InChI is InChI=1S/C16H25BO3/c1-12(13-10-8-7-9-11-13)16(6,18)17-19-14(2,3)15(4,5)20-17/h7-12,18H,1-6H3/t12-,16+/m0/s1.
What are the key properties of (2R,3S)-3-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol?
(2R,3S)-3-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol has a molecular weight of 276.19 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol is sourced from PubChem (CID 154718483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).