3-dibenzofuran-2-yl-3-methylbutan-1-ol

C17H18O2 — CID 79838391

IUPAC3-dibenzofuran-2-yl-3-methylbutan-1-ol
SMILESCC(C)(CCO)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C17H18O2/c1-17(2,9-10-18)12-7-8-16-14(11-12)13-5-3-4-6-15(13)19-16/h3-8,11,18H,9-10H2,1-2H3
InChIKeyMEUDFVDKPJEYMP-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.25
Rot. Bonds3

About 3-dibenzofuran-2-yl-3-methylbutan-1-ol

3-dibenzofuran-2-yl-3-methylbutan-1-ol (PubChem CID 79838391) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-3-methylbutan-1-ol
PubChem CID79838391
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name3-dibenzofuran-2-yl-3-methylbutan-1-ol
SMILESCC(C)(CCO)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C17H18O2/c1-17(2,9-10-18)12-7-8-16-14(11-12)13-5-3-4-6-15(13)19-16/h3-8,11,18H,9-10H2,1-2H3
InChIKeyMEUDFVDKPJEYMP-UHFFFAOYSA-N
XLogP4.25
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-3-methylbutan-1-ol?
The IUPAC name of 3-dibenzofuran-2-yl-3-methylbutan-1-ol (CID 79838391) is 3-dibenzofuran-2-yl-3-methylbutan-1-ol.
What is the SMILES notation for 3-dibenzofuran-2-yl-3-methylbutan-1-ol?
The canonical SMILES for 3-dibenzofuran-2-yl-3-methylbutan-1-ol is CC(C)(CCO)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 3-dibenzofuran-2-yl-3-methylbutan-1-ol?
The InChIKey is MEUDFVDKPJEYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-17(2,9-10-18)12-7-8-16-14(11-12)13-5-3-4-6-15(13)19-16/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of 3-dibenzofuran-2-yl-3-methylbutan-1-ol?
3-dibenzofuran-2-yl-3-methylbutan-1-ol has a molecular weight of 254.33 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yl-3-methylbutan-1-ol is sourced from PubChem (CID 79838391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).