4-prop-2-enylxanthen-9-one

C16H12O2 — CID 19102968

IUPAC4-prop-2-enylxanthen-9-one
SMILESC=CCc1cccc2c(=O)c3ccccc3oc12
InChIInChI=1S/C16H12O2/c1-2-6-11-7-5-9-13-15(17)12-8-3-4-10-14(12)18-16(11)13/h2-5,7-10H,1,6H2
InChIKeyKYLCJRMASBSMNE-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.67
Rot. Bonds2

About 4-prop-2-enylxanthen-9-one

4-prop-2-enylxanthen-9-one (PubChem CID 19102968) has the molecular formula C16H12O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-prop-2-enylxanthen-9-one.

Molecular Properties

Compound Name4-prop-2-enylxanthen-9-one
PubChem CID19102968
Molecular FormulaC16H12O2
Molecular Weight236.27 g/mol
Exact Mass236.08
IUPAC Name4-prop-2-enylxanthen-9-one
SMILESC=CCc1cccc2c(=O)c3ccccc3oc12
InChIInChI=1S/C16H12O2/c1-2-6-11-7-5-9-13-15(17)12-8-3-4-10-14(12)18-16(11)13/h2-5,7-10H,1,6H2
InChIKeyKYLCJRMASBSMNE-UHFFFAOYSA-N
XLogP3.67
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-prop-2-enylxanthen-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

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enylxanthen-9-one?
The IUPAC name of 4-prop-2-enylxanthen-9-one (CID 19102968) is 4-prop-2-enylxanthen-9-one.
What is the SMILES notation for 4-prop-2-enylxanthen-9-one?
The canonical SMILES for 4-prop-2-enylxanthen-9-one is C=CCc1cccc2c(=O)c3ccccc3oc12.
What is the InChIKey of 4-prop-2-enylxanthen-9-one?
The InChIKey is KYLCJRMASBSMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2/c1-2-6-11-7-5-9-13-15(17)12-8-3-4-10-14(12)18-16(11)13/h2-5,7-10H,1,6H2.
What are the key properties of 4-prop-2-enylxanthen-9-one?
4-prop-2-enylxanthen-9-one has a molecular weight of 236.27 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enylxanthen-9-one is sourced from PubChem (CID 19102968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).