2-(pent-4-enoxymethyl)phenalen-1-one

C19H18O2 — CID 142428102

IUPAC2-(pent-4-enoxymethyl)phenalen-1-one
SMILESC=CCCCOCC1=Cc2cccc3cccc(c23)C1=O
InChIInChI=1S/C19H18O2/c1-2-3-4-11-21-13-16-12-15-9-5-7-14-8-6-10-17(18(14)15)19(16)20/h2,5-10,12H,1,3-4,11,13H2
InChIKeyZTDMYBRKPNRTLU-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.40
Rot. Bonds6

About 2-(pent-4-enoxymethyl)phenalen-1-one

2-(pent-4-enoxymethyl)phenalen-1-one (PubChem CID 142428102) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(pent-4-enoxymethyl)phenalen-1-one.

Molecular Properties

Compound Name2-(pent-4-enoxymethyl)phenalen-1-one
PubChem CID142428102
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name2-(pent-4-enoxymethyl)phenalen-1-one
SMILESC=CCCCOCC1=Cc2cccc3cccc(c23)C1=O
InChIInChI=1S/C19H18O2/c1-2-3-4-11-21-13-16-12-15-9-5-7-14-8-6-10-17(18(14)15)19(16)20/h2,5-10,12H,1,3-4,11,13H2
InChIKeyZTDMYBRKPNRTLU-UHFFFAOYSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2,2-bis(prop-2-enoxymethyl)butoxymethyl]phenalen-1-one
CID 142428073
diethoxy-[ethoxy-[(1-oxophenalen-2-yl)methoxy]methyl]sulfanium
CID 142428092
2-[[4-(hydroxymethyl)phenoxy]methyl]phenalen-1-one
CID 142428167
bis(2-hydroxyethyl)-[(1-oxophenalen-2-yl)methyl]azanium
CID 140633638
3-(but-3-enoxymethyl)-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaene;ethane;methanethiol
CID 142428187
2-aminophenalen-1-one
CID 13013288
3-prop-2-enylnaphthalene-1,2-dione
CID 11252602
dimethyl-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]-[(1-oxophenalen-2-yl)methyl]azanium;ethane
CID 142428134
2-[2-[bis(2-aminoethyl)amino]ethyl]phenalen-1-one
CID 146497622
2-methylphenalen-1-one
CID 15695099
2-(piperazine-1,4-diium-1-ylmethyl)phenalen-1-one
CID 140633643
methyl-[(1-oxophenalen-2-yl)methyl]-dipropylazanium chloride
CID 169427324

Frequently Asked Questions

What is the IUPAC name of 2-(pent-4-enoxymethyl)phenalen-1-one?
The IUPAC name of 2-(pent-4-enoxymethyl)phenalen-1-one (CID 142428102) is 2-(pent-4-enoxymethyl)phenalen-1-one.
What is the SMILES notation for 2-(pent-4-enoxymethyl)phenalen-1-one?
The canonical SMILES for 2-(pent-4-enoxymethyl)phenalen-1-one is C=CCCCOCC1=Cc2cccc3cccc(c23)C1=O.
What is the InChIKey of 2-(pent-4-enoxymethyl)phenalen-1-one?
The InChIKey is ZTDMYBRKPNRTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-2-3-4-11-21-13-16-12-15-9-5-7-14-8-6-10-17(18(14)15)19(16)20/h2,5-10,12H,1,3-4,11,13H2.
What are the key properties of 2-(pent-4-enoxymethyl)phenalen-1-one?
2-(pent-4-enoxymethyl)phenalen-1-one has a molecular weight of 278.35 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pent-4-enoxymethyl)phenalen-1-one is sourced from PubChem (CID 142428102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).