5-diphenylboranyloxyhexan-2-ol

C18H23BO2 — CID 3087577

IUPAC5-diphenylboranyloxyhexan-2-ol
SMILESCC(O)CCC(C)OB(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23BO2/c1-15(20)13-14-16(2)21-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15-16,20H,13-14H2,1-2H3
InChIKeyJNGGDLCNNDFLOW-UHFFFAOYSA-N
MW282.19 g/mol
LogP2.36
Rot. Bonds7

About 5-diphenylboranyloxyhexan-2-ol

5-diphenylboranyloxyhexan-2-ol (PubChem CID 3087577) has the molecular formula C18H23BO2 and a molecular weight of 282.19 g/mol. Its IUPAC name is 5-diphenylboranyloxyhexan-2-ol.

Molecular Properties

Compound Name5-diphenylboranyloxyhexan-2-ol
PubChem CID3087577
Molecular FormulaC18H23BO2
Molecular Weight282.19 g/mol
Exact Mass282.18
IUPAC Name5-diphenylboranyloxyhexan-2-ol
SMILESCC(O)CCC(C)OB(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23BO2/c1-15(20)13-14-16(2)21-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15-16,20H,13-14H2,1-2H3
InChIKeyJNGGDLCNNDFLOW-UHFFFAOYSA-N
XLogP2.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-diphenylboranyloxyhexan-2-ol?
The IUPAC name of 5-diphenylboranyloxyhexan-2-ol (CID 3087577) is 5-diphenylboranyloxyhexan-2-ol.
What is the SMILES notation for 5-diphenylboranyloxyhexan-2-ol?
The canonical SMILES for 5-diphenylboranyloxyhexan-2-ol is CC(O)CCC(C)OB(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-diphenylboranyloxyhexan-2-ol?
The InChIKey is JNGGDLCNNDFLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BO2/c1-15(20)13-14-16(2)21-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15-16,20H,13-14H2,1-2H3.
What are the key properties of 5-diphenylboranyloxyhexan-2-ol?
5-diphenylboranyloxyhexan-2-ol has a molecular weight of 282.19 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diphenylboranyloxyhexan-2-ol is sourced from PubChem (CID 3087577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).