1-(tert-butyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol

C17H21NO2 — CID 915841

IUPAC1-(tert-butyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol
SMILESCC(C)(C)/N=C/c1c(O)ccc2oc3c(c12)CCCC3
InChIInChI=1S/C17H21NO2/c1-17(2,3)18-10-12-13(19)8-9-15-16(12)11-6-4-5-7-14(11)20-15/h8-10,19H,4-7H2,1-3H3/b18-10+
InChIKeyICLFWNYSGLYVBX-VCHYOVAHSA-N
MW271.36 g/mol
LogP4.23
Rot. Bonds1

About 1-(tert-butyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol

1-(tert-butyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol (PubChem CID 915841) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(tert-butyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol.

Molecular Properties

Compound Name1-(tert-butyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol
PubChem CID915841
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-(tert-butyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol
SMILESCC(C)(C)/N=C/c1c(O)ccc2oc3c(c12)CCCC3
InChIInChI=1S/C17H21NO2/c1-17(2,3)18-10-12-13(19)8-9-15-16(12)11-6-4-5-7-14(11)20-15/h8-10,19H,4-7H2,1-3H3/b18-10+
InChIKeyICLFWNYSGLYVBX-VCHYOVAHSA-N
XLogP4.23
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol?
The IUPAC name of 1-(tert-butyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol (CID 915841) is 1-(tert-butyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol.
What is the SMILES notation for 1-(tert-butyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol?
The canonical SMILES for 1-(tert-butyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol is CC(C)(C)/N=C/c1c(O)ccc2oc3c(c12)CCCC3.
What is the InChIKey of 1-(tert-butyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol?
The InChIKey is ICLFWNYSGLYVBX-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H21NO2/c1-17(2,3)18-10-12-13(19)8-9-15-16(12)11-6-4-5-7-14(11)20-15/h8-10,19H,4-7H2,1-3H3/b18-10+.
What are the key properties of 1-(tert-butyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol?
1-(tert-butyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol has a molecular weight of 271.36 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol is sourced from PubChem (CID 915841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).