2-(2-cyclohepta-1,3,6-trien-1-ylphenyl)-5-ethylfuran

C19H18O — CID 134887264

IUPAC2-(2-cyclohepta-1,3,6-trien-1-ylphenyl)-5-ethylfuran
SMILESCCc1ccc(-c2ccccc2C2=CC=CCC=C2)o1
InChIInChI=1S/C19H18O/c1-2-16-13-14-19(20-16)18-12-8-7-11-17(18)15-9-5-3-4-6-10-15/h3,5-14H,2,4H2,1H3
InChIKeyLJDVWQWNNVPOMT-UHFFFAOYSA-N
MW262.35 g/mol
LogP5.41
Rot. Bonds3

About 2-(2-cyclohepta-1,3,6-trien-1-ylphenyl)-5-ethylfuran

2-(2-cyclohepta-1,3,6-trien-1-ylphenyl)-5-ethylfuran (PubChem CID 134887264) has the molecular formula C19H18O and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(2-cyclohepta-1,3,6-trien-1-ylphenyl)-5-ethylfuran.

Molecular Properties

Compound Name2-(2-cyclohepta-1,3,6-trien-1-ylphenyl)-5-ethylfuran
PubChem CID134887264
Molecular FormulaC19H18O
Molecular Weight262.35 g/mol
Exact Mass262.14
IUPAC Name2-(2-cyclohepta-1,3,6-trien-1-ylphenyl)-5-ethylfuran
SMILESCCc1ccc(-c2ccccc2C2=CC=CCC=C2)o1
InChIInChI=1S/C19H18O/c1-2-16-13-14-19(20-16)18-12-8-7-11-17(18)15-9-5-3-4-6-10-15/h3,5-14H,2,4H2,1H3
InChIKeyLJDVWQWNNVPOMT-UHFFFAOYSA-N
XLogP5.41
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.35
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohepta-1,3,6-trien-1-ylphenyl)-5-ethylfuran?
The IUPAC name of 2-(2-cyclohepta-1,3,6-trien-1-ylphenyl)-5-ethylfuran (CID 134887264) is 2-(2-cyclohepta-1,3,6-trien-1-ylphenyl)-5-ethylfuran.
What is the SMILES notation for 2-(2-cyclohepta-1,3,6-trien-1-ylphenyl)-5-ethylfuran?
The canonical SMILES for 2-(2-cyclohepta-1,3,6-trien-1-ylphenyl)-5-ethylfuran is CCc1ccc(-c2ccccc2C2=CC=CCC=C2)o1.
What is the InChIKey of 2-(2-cyclohepta-1,3,6-trien-1-ylphenyl)-5-ethylfuran?
The InChIKey is LJDVWQWNNVPOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O/c1-2-16-13-14-19(20-16)18-12-8-7-11-17(18)15-9-5-3-4-6-10-15/h3,5-14H,2,4H2,1H3.
What are the key properties of 2-(2-cyclohepta-1,3,6-trien-1-ylphenyl)-5-ethylfuran?
2-(2-cyclohepta-1,3,6-trien-1-ylphenyl)-5-ethylfuran has a molecular weight of 262.35 g/mol, XLogP of 5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohepta-1,3,6-trien-1-ylphenyl)-5-ethylfuran is sourced from PubChem (CID 134887264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).