1-ethenoxy-9H-xanthene

C15H12O2 — CID 150445419

IUPAC1-ethenoxy-9H-xanthene
SMILESC=COc1cccc2c1Cc1ccccc1O2
InChIInChI=1S/C15H12O2/c1-2-16-14-8-5-9-15-12(14)10-11-6-3-4-7-13(11)17-15/h2-9H,1,10H2
InChIKeyHMQRHOPLUYRZOS-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.91
Rot. Bonds2

About 1-ethenoxy-9H-xanthene

1-ethenoxy-9H-xanthene (PubChem CID 150445419) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-ethenoxy-9H-xanthene.

Molecular Properties

Compound Name1-ethenoxy-9H-xanthene
PubChem CID150445419
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name1-ethenoxy-9H-xanthene
SMILESC=COc1cccc2c1Cc1ccccc1O2
InChIInChI=1S/C15H12O2/c1-2-16-14-8-5-9-15-12(14)10-11-6-3-4-7-13(11)17-15/h2-9H,1,10H2
InChIKeyHMQRHOPLUYRZOS-UHFFFAOYSA-N
XLogP3.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-ethenoxy-9H-xanthene 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 1-ethenoxy-9H-xanthene?
The IUPAC name of 1-ethenoxy-9H-xanthene (CID 150445419) is 1-ethenoxy-9H-xanthene.
What is the SMILES notation for 1-ethenoxy-9H-xanthene?
The canonical SMILES for 1-ethenoxy-9H-xanthene is C=COc1cccc2c1Cc1ccccc1O2.
What is the InChIKey of 1-ethenoxy-9H-xanthene?
The InChIKey is HMQRHOPLUYRZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2/c1-2-16-14-8-5-9-15-12(14)10-11-6-3-4-7-13(11)17-15/h2-9H,1,10H2.
What are the key properties of 1-ethenoxy-9H-xanthene?
1-ethenoxy-9H-xanthene has a molecular weight of 224.26 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-9H-xanthene is sourced from PubChem (CID 150445419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).