4-cyclohepta-1,3,6-trien-1-yldibenzofuran;propane

C22H22O — CID 145447484

IUPAC4-cyclohepta-1,3,6-trien-1-yldibenzofuran;propane
SMILESC1=CCC=CC(c2cccc3c2oc2ccccc23)=C1.CCC
InChIInChI=1S/C19H14O.C3H8/c1-2-4-9-14(8-3-1)15-11-7-12-17-16-10-5-6-13-18(16)20-19(15)17;1-3-2/h1,3-13H,2H2;3H2,1-2H3
InChIKeyXNNFGRHWCVUEFF-UHFFFAOYSA-N
MW302.42 g/mol
LogP6.90
Rot. Bonds1

About 4-cyclohepta-1,3,6-trien-1-yldibenzofuran;propane

4-cyclohepta-1,3,6-trien-1-yldibenzofuran;propane (PubChem CID 145447484) has the molecular formula C22H22O and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-cyclohepta-1,3,6-trien-1-yldibenzofuran;propane.

Molecular Properties

Compound Name4-cyclohepta-1,3,6-trien-1-yldibenzofuran;propane
PubChem CID145447484
Molecular FormulaC22H22O
Molecular Weight302.42 g/mol
Exact Mass302.17
IUPAC Name4-cyclohepta-1,3,6-trien-1-yldibenzofuran;propane
SMILESC1=CCC=CC(c2cccc3c2oc2ccccc23)=C1.CCC
InChIInChI=1S/C19H14O.C3H8/c1-2-4-9-14(8-3-1)15-11-7-12-17-16-10-5-6-13-18(16)20-19(15)17;1-3-2/h1,3-13H,2H2;3H2,1-2H3
InChIKeyXNNFGRHWCVUEFF-UHFFFAOYSA-N
XLogP6.90
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-dibenzofuran-4-ylpyridine
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Frequently Asked Questions

What is the IUPAC name of 4-cyclohepta-1,3,6-trien-1-yldibenzofuran;propane?
The IUPAC name of 4-cyclohepta-1,3,6-trien-1-yldibenzofuran;propane (CID 145447484) is 4-cyclohepta-1,3,6-trien-1-yldibenzofuran;propane.
What is the SMILES notation for 4-cyclohepta-1,3,6-trien-1-yldibenzofuran;propane?
The canonical SMILES for 4-cyclohepta-1,3,6-trien-1-yldibenzofuran;propane is C1=CCC=CC(c2cccc3c2oc2ccccc23)=C1.CCC.
What is the InChIKey of 4-cyclohepta-1,3,6-trien-1-yldibenzofuran;propane?
The InChIKey is XNNFGRHWCVUEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O.C3H8/c1-2-4-9-14(8-3-1)15-11-7-12-17-16-10-5-6-13-18(16)20-19(15)17;1-3-2/h1,3-13H,2H2;3H2,1-2H3.
What are the key properties of 4-cyclohepta-1,3,6-trien-1-yldibenzofuran;propane?
4-cyclohepta-1,3,6-trien-1-yldibenzofuran;propane has a molecular weight of 302.42 g/mol, XLogP of 6.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohepta-1,3,6-trien-1-yldibenzofuran;propane is sourced from PubChem (CID 145447484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).