3-ethylfluoranthene-8-carbaldehyde

C19H14O — CID 86122786

IUPAC3-ethylfluoranthene-8-carbaldehyde
SMILESCCc1ccc2c3c(cccc13)-c1cc(C=O)ccc1-2
InChIInChI=1S/C19H14O/c1-2-13-7-9-17-15-8-6-12(11-20)10-18(15)16-5-3-4-14(13)19(16)17/h3-11H,2H2,1H3
InChIKeyIVZCQAJPSSUTNW-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.86
Rot. Bonds2

About 3-ethylfluoranthene-8-carbaldehyde

3-ethylfluoranthene-8-carbaldehyde (PubChem CID 86122786) has the molecular formula C19H14O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-ethylfluoranthene-8-carbaldehyde.

Molecular Properties

Compound Name3-ethylfluoranthene-8-carbaldehyde
PubChem CID86122786
Molecular FormulaC19H14O
Molecular Weight258.32 g/mol
Exact Mass258.10
IUPAC Name3-ethylfluoranthene-8-carbaldehyde
SMILESCCc1ccc2c3c(cccc13)-c1cc(C=O)ccc1-2
InChIInChI=1S/C19H14O/c1-2-13-7-9-17-15-8-6-12(11-20)10-18(15)16-5-3-4-14(13)19(16)17/h3-11H,2H2,1H3
InChIKeyIVZCQAJPSSUTNW-UHFFFAOYSA-N
XLogP4.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-ethylfluoranthene-8-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methylfluoranthene-8-carbaldehyde
CID 142154566
3-(fluoranthen-3-ylmethyl)fluoranthene
CID 634480
3,4-bis(2-phenylphenyl)benzaldehyde
CID 141272209
2,3-diethylbiphenylene
CID 134993289
9-methylidenefluorene-2,7-dicarbaldehyde
CID 89093906
4-ethyl-6-naphthalen-1-yl-1-phenylnaphthalene
CID 161426162
3-[2-(3-ethyl-4-methylphenyl)ethenyl]benzaldehyde
CID 123355717
4-ethyl-3-(hydroxyamino)benzaldehyde
CID 123818347
3-(2-methylbutan-2-yl)fluoranthene
CID 160971075
3-fluoro-4-propylbenzaldehyde
CID 88903432
2-ethyl-1,3-dioxoisoindole-5-carbaldehyde
CID 58922228
3-fluoranthen-3-ylpropan-1-amine
CID 170867484

Frequently Asked Questions

What is the IUPAC name of 3-ethylfluoranthene-8-carbaldehyde?
The IUPAC name of 3-ethylfluoranthene-8-carbaldehyde (CID 86122786) is 3-ethylfluoranthene-8-carbaldehyde.
What is the SMILES notation for 3-ethylfluoranthene-8-carbaldehyde?
The canonical SMILES for 3-ethylfluoranthene-8-carbaldehyde is CCc1ccc2c3c(cccc13)-c1cc(C=O)ccc1-2.
What is the InChIKey of 3-ethylfluoranthene-8-carbaldehyde?
The InChIKey is IVZCQAJPSSUTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O/c1-2-13-7-9-17-15-8-6-12(11-20)10-18(15)16-5-3-4-14(13)19(16)17/h3-11H,2H2,1H3.
What are the key properties of 3-ethylfluoranthene-8-carbaldehyde?
3-ethylfluoranthene-8-carbaldehyde has a molecular weight of 258.32 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylfluoranthene-8-carbaldehyde is sourced from PubChem (CID 86122786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).