3-propoxyphenalen-1-one

C16H14O2 — CID 2825197

IUPAC3-propoxyphenalen-1-one
SMILESCCCOC1=CC(=O)c2cccc3cccc1c23
InChIInChI=1S/C16H14O2/c1-2-9-18-15-10-14(17)12-7-3-5-11-6-4-8-13(15)16(11)12/h3-8,10H,2,9H2,1H3
InChIKeyBLNDUWHOSMOGRK-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.80
Rot. Bonds3

About 3-propoxyphenalen-1-one

3-propoxyphenalen-1-one (PubChem CID 2825197) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-propoxyphenalen-1-one.

Molecular Properties

Compound Name3-propoxyphenalen-1-one
PubChem CID2825197
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name3-propoxyphenalen-1-one
SMILESCCCOC1=CC(=O)c2cccc3cccc1c23
InChIInChI=1S/C16H14O2/c1-2-9-18-15-10-14(17)12-7-3-5-11-6-4-8-13(15)16(11)12/h3-8,10H,2,9H2,1H3
InChIKeyBLNDUWHOSMOGRK-UHFFFAOYSA-N
XLogP3.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_ene_one_A(1)', 'substructure': 'N/A'}

Analyze 3-propoxyphenalen-1-one 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

3-butoxyphenalen-1-one
CID 158409292
3-prop-2-ynoxyphenalen-1-one
CID 142428114
3-(oxiran-2-ylmethoxy)phenalen-1-one
CID 142428189
5-hydroxy-2-propoxynaphthalene-1,4-dione
CID 162848095
2-propoxybenzo[de]isoquinoline-1,3-dione
CID 20686261
2-(4-butoxyphenyl)benzo[de]isoquinoline-1,3-dione
CID 3613062
2-(4-octoxyphenyl)benzo[de]isoquinoline-1,3-dione
CID 4280854
2-hydroxy-4-propoxybenzo[de]isoquinoline-1,3-dione
CID 163206395
5-propoxy-2-(trifluoromethylsulfanyloxy)benzo[de]isoquinoline-1,3-dione
CID 129270765
3-piperidin-1-ylphenalen-1-one
CID 21177336
2-(3-methyl-4-phosphanylbutoxy)naphthalene-1,4-dione
CID 144551872
(3-octoxy-1H-phenalen-1-yl) acetate
CID 174762153

Frequently Asked Questions

What is the IUPAC name of 3-propoxyphenalen-1-one?
The IUPAC name of 3-propoxyphenalen-1-one (CID 2825197) is 3-propoxyphenalen-1-one.
What is the SMILES notation for 3-propoxyphenalen-1-one?
The canonical SMILES for 3-propoxyphenalen-1-one is CCCOC1=CC(=O)c2cccc3cccc1c23.
What is the InChIKey of 3-propoxyphenalen-1-one?
The InChIKey is BLNDUWHOSMOGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-2-9-18-15-10-14(17)12-7-3-5-11-6-4-8-13(15)16(11)12/h3-8,10H,2,9H2,1H3.
What are the key properties of 3-propoxyphenalen-1-one?
3-propoxyphenalen-1-one has a molecular weight of 238.29 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxyphenalen-1-one is sourced from PubChem (CID 2825197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).