3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-1-ol

C15H23BO3 — CID 58685599

IUPAC3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-1-ol
SMILESCC1(C)OB(c2ccc(CCCO)cc2)OC1(C)C
InChIInChI=1S/C15H23BO3/c1-14(2)15(3,4)19-16(18-14)13-9-7-12(8-10-13)6-5-11-17/h7-10,17H,5-6,11H2,1-4H3
InChIKeyMAOHXUOIEOBIJP-UHFFFAOYSA-N
MW262.16 g/mol
LogP1.91
Rot. Bonds4

About 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-1-ol

3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-1-ol (PubChem CID 58685599) has the molecular formula C15H23BO3 and a molecular weight of 262.16 g/mol. Its IUPAC name is 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-1-ol
PubChem CID58685599
Molecular FormulaC15H23BO3
Molecular Weight262.16 g/mol
Exact Mass262.17
IUPAC Name3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-1-ol
SMILESCC1(C)OB(c2ccc(CCCO)cc2)OC1(C)C
InChIInChI=1S/C15H23BO3/c1-14(2)15(3,4)19-16(18-14)13-9-7-12(8-10-13)6-5-11-17/h7-10,17H,5-6,11H2,1-4H3
InChIKeyMAOHXUOIEOBIJP-UHFFFAOYSA-N
XLogP1.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.16
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-1-ol?
The IUPAC name of 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-1-ol (CID 58685599) is 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-1-ol.
What is the SMILES notation for 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-1-ol?
The canonical SMILES for 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-1-ol is CC1(C)OB(c2ccc(CCCO)cc2)OC1(C)C.
What is the InChIKey of 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-1-ol?
The InChIKey is MAOHXUOIEOBIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BO3/c1-14(2)15(3,4)19-16(18-14)13-9-7-12(8-10-13)6-5-11-17/h7-10,17H,5-6,11H2,1-4H3.
What are the key properties of 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-1-ol?
3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-1-ol has a molecular weight of 262.16 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-1-ol is sourced from PubChem (CID 58685599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).