2-[(1Z,3Z)-penta-1,3-dienyl]xanthen-9-one

C18H14O2 — CID 145218621

IUPAC2-[(1Z,3Z)-penta-1,3-dienyl]xanthen-9-one
SMILESC/C=C\C=C/c1ccc2oc3ccccc3c(=O)c2c1
InChIInChI=1S/C18H14O2/c1-2-3-4-7-13-10-11-17-15(12-13)18(19)14-8-5-6-9-16(14)20-17/h2-12H,1H3/b3-2-,7-4-
InChIKeyOEGMNXLNCRKESG-JXPISWCDSA-N
MW262.31 g/mol
LogP4.54
Rot. Bonds2

About 2-[(1Z,3Z)-penta-1,3-dienyl]xanthen-9-one

2-[(1Z,3Z)-penta-1,3-dienyl]xanthen-9-one (PubChem CID 145218621) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[(1Z,3Z)-penta-1,3-dienyl]xanthen-9-one.

Molecular Properties

Compound Name2-[(1Z,3Z)-penta-1,3-dienyl]xanthen-9-one
PubChem CID145218621
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Name2-[(1Z,3Z)-penta-1,3-dienyl]xanthen-9-one
SMILESC/C=C\C=C/c1ccc2oc3ccccc3c(=O)c2c1
InChIInChI=1S/C18H14O2/c1-2-3-4-7-13-10-11-17-15(12-13)18(19)14-8-5-6-9-16(14)20-17/h2-12H,1H3/b3-2-,7-4-
InChIKeyOEGMNXLNCRKESG-JXPISWCDSA-N
XLogP4.54
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-[(1Z,3Z)-penta-1,3-dienyl]xanthen-9-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-[(1Z,3E)-4-chloropenta-1,3-dienyl]xanthen-9-one
CID 145218435
2-methylxanthen-9-one;xanthen-9-one
CID 70546954
3-but-1-enylxanthen-9-one
CID 174636997
3-[2-(4-hydroxyphenyl)ethenyl]xanthen-9-one
CID 174928168
propane;xanthen-9-one
CID 90876458
N-(9-oxoxanthen-2-yl)acetamide
CID 72793124
bis(9-oxoxanthen-2-yl)iodanium
CID 23034927
3-ethoxyprop-1-ene;2-[(1Z)-3-fluorobuta-1,3-dienyl]xanthen-9-one;fluoromethane
CID 145218879
2-[(Z)-1-(dimethylamino)-3-oxobut-1-en-2-yl]xanthen-9-one
CID 15643867
[5-[(1E,3E)-4-dibenzofuran-2-ylbuta-1,3-dienyl]-2-hydroxyphenyl] formate
CID 58130846
2-(methylsulfonimidoyl)xanthen-9-one
CID 129396383
2-ethoxyxanthen-9-one
CID 14150405

Frequently Asked Questions

What is the IUPAC name of 2-[(1Z,3Z)-penta-1,3-dienyl]xanthen-9-one?
The IUPAC name of 2-[(1Z,3Z)-penta-1,3-dienyl]xanthen-9-one (CID 145218621) is 2-[(1Z,3Z)-penta-1,3-dienyl]xanthen-9-one.
What is the SMILES notation for 2-[(1Z,3Z)-penta-1,3-dienyl]xanthen-9-one?
The canonical SMILES for 2-[(1Z,3Z)-penta-1,3-dienyl]xanthen-9-one is C/C=C\C=C/c1ccc2oc3ccccc3c(=O)c2c1.
What is the InChIKey of 2-[(1Z,3Z)-penta-1,3-dienyl]xanthen-9-one?
The InChIKey is OEGMNXLNCRKESG-JXPISWCDSA-N. The full InChI is InChI=1S/C18H14O2/c1-2-3-4-7-13-10-11-17-15(12-13)18(19)14-8-5-6-9-16(14)20-17/h2-12H,1H3/b3-2-,7-4-.
What are the key properties of 2-[(1Z,3Z)-penta-1,3-dienyl]xanthen-9-one?
2-[(1Z,3Z)-penta-1,3-dienyl]xanthen-9-one has a molecular weight of 262.31 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z,3Z)-penta-1,3-dienyl]xanthen-9-one is sourced from PubChem (CID 145218621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).