3-ethylfluoranthene

C18H14 — CID 21273698

IUPAC3-ethylfluoranthene
SMILESCCc1ccc2c3c(cccc13)-c1ccccc1-2
InChIInChI=1S/C18H14/c1-2-12-10-11-17-15-7-4-3-6-14(15)16-9-5-8-13(12)18(16)17/h3-11H,2H2,1H3
InChIKeyJXUOLJXLPIIRTP-UHFFFAOYSA-N
MW230.31 g/mol
LogP5.05
Rot. Bonds1

About 3-ethylfluoranthene

3-ethylfluoranthene (PubChem CID 21273698) has the molecular formula C18H14 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-ethylfluoranthene.

Molecular Properties

Compound Name3-ethylfluoranthene
PubChem CID21273698
Molecular FormulaC18H14
Molecular Weight230.31 g/mol
Exact Mass230.11
IUPAC Name3-ethylfluoranthene
SMILESCCc1ccc2c3c(cccc13)-c1ccccc1-2
InChIInChI=1S/C18H14/c1-2-12-10-11-17-15-7-4-3-6-14(15)16-9-5-8-13(12)18(16)17/h3-11H,2H2,1H3
InChIKeyJXUOLJXLPIIRTP-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.31
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-ethylfluoranthene?
The IUPAC name of 3-ethylfluoranthene (CID 21273698) is 3-ethylfluoranthene.
What is the SMILES notation for 3-ethylfluoranthene?
The canonical SMILES for 3-ethylfluoranthene is CCc1ccc2c3c(cccc13)-c1ccccc1-2.
What is the InChIKey of 3-ethylfluoranthene?
The InChIKey is JXUOLJXLPIIRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14/c1-2-12-10-11-17-15-7-4-3-6-14(15)16-9-5-8-13(12)18(16)17/h3-11H,2H2,1H3.
What are the key properties of 3-ethylfluoranthene?
3-ethylfluoranthene has a molecular weight of 230.31 g/mol, XLogP of 5.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylfluoranthene is sourced from PubChem (CID 21273698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).