1-ethyl-9-methylidenephenalene

C16H14 — CID 149380156

IUPAC1-ethyl-9-methylidenephenalene
SMILESC=c1ccc2cccc3ccc(CC)c1c32
InChIInChI=1S/C16H14/c1-3-12-9-10-14-6-4-5-13-8-7-11(2)15(12)16(13)14/h4-10H,2-3H2,1H3
InChIKeyYLMIVGGBIJMBHI-UHFFFAOYSA-N
MW206.29 g/mol
LogP3.68
Rot. Bonds1

About 1-ethyl-9-methylidenephenalene

1-ethyl-9-methylidenephenalene (PubChem CID 149380156) has the molecular formula C16H14 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-ethyl-9-methylidenephenalene.

Molecular Properties

Compound Name1-ethyl-9-methylidenephenalene
PubChem CID149380156
Molecular FormulaC16H14
Molecular Weight206.29 g/mol
Exact Mass206.11
IUPAC Name1-ethyl-9-methylidenephenalene
SMILESC=c1ccc2cccc3ccc(CC)c1c32
InChIInChI=1S/C16H14/c1-3-12-9-10-14-6-4-5-13-8-7-11(2)15(12)16(13)14/h4-10H,2-3H2,1H3
InChIKeyYLMIVGGBIJMBHI-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-9-methylidenephenalene?
The IUPAC name of 1-ethyl-9-methylidenephenalene (CID 149380156) is 1-ethyl-9-methylidenephenalene.
What is the SMILES notation for 1-ethyl-9-methylidenephenalene?
The canonical SMILES for 1-ethyl-9-methylidenephenalene is C=c1ccc2cccc3ccc(CC)c1c32.
What is the InChIKey of 1-ethyl-9-methylidenephenalene?
The InChIKey is YLMIVGGBIJMBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14/c1-3-12-9-10-14-6-4-5-13-8-7-11(2)15(12)16(13)14/h4-10H,2-3H2,1H3.
What are the key properties of 1-ethyl-9-methylidenephenalene?
1-ethyl-9-methylidenephenalene has a molecular weight of 206.29 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-9-methylidenephenalene is sourced from PubChem (CID 149380156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).