1-dibenzofuran-2-yl-2-methylpentan-1-ol

C18H20O2 — CID 63426339

IUPAC1-dibenzofuran-2-yl-2-methylpentan-1-ol
SMILESCCCC(C)C(O)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C18H20O2/c1-3-6-12(2)18(19)13-9-10-17-15(11-13)14-7-4-5-8-16(14)20-17/h4-5,7-12,18-19H,3,6H2,1-2H3
InChIKeyGWGYYCIHHWNINL-UHFFFAOYSA-N
MW268.36 g/mol
LogP5.06
Rot. Bonds4

About 1-dibenzofuran-2-yl-2-methylpentan-1-ol

1-dibenzofuran-2-yl-2-methylpentan-1-ol (PubChem CID 63426339) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-dibenzofuran-2-yl-2-methylpentan-1-ol.

Molecular Properties

Compound Name1-dibenzofuran-2-yl-2-methylpentan-1-ol
PubChem CID63426339
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-dibenzofuran-2-yl-2-methylpentan-1-ol
SMILESCCCC(C)C(O)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C18H20O2/c1-3-6-12(2)18(19)13-9-10-17-15(11-13)14-7-4-5-8-16(14)20-17/h4-5,7-12,18-19H,3,6H2,1-2H3
InChIKeyGWGYYCIHHWNINL-UHFFFAOYSA-N
XLogP5.06
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.36
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-2-yl-2-methylpentan-1-ol?
The IUPAC name of 1-dibenzofuran-2-yl-2-methylpentan-1-ol (CID 63426339) is 1-dibenzofuran-2-yl-2-methylpentan-1-ol.
What is the SMILES notation for 1-dibenzofuran-2-yl-2-methylpentan-1-ol?
The canonical SMILES for 1-dibenzofuran-2-yl-2-methylpentan-1-ol is CCCC(C)C(O)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 1-dibenzofuran-2-yl-2-methylpentan-1-ol?
The InChIKey is GWGYYCIHHWNINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-3-6-12(2)18(19)13-9-10-17-15(11-13)14-7-4-5-8-16(14)20-17/h4-5,7-12,18-19H,3,6H2,1-2H3.
What are the key properties of 1-dibenzofuran-2-yl-2-methylpentan-1-ol?
1-dibenzofuran-2-yl-2-methylpentan-1-ol has a molecular weight of 268.36 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-2-yl-2-methylpentan-1-ol is sourced from PubChem (CID 63426339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).