9-ethoxy-9-phenylxanthene

C21H18O2 — CID 620899

IUPAC9-ethoxy-9-phenylxanthene
SMILESCCOC1(c2ccccc2)c2ccccc2Oc2ccccc21
InChIInChI=1S/C21H18O2/c1-2-22-21(16-10-4-3-5-11-16)17-12-6-8-14-19(17)23-20-15-9-7-13-18(20)21/h3-15H,2H2,1H3
InChIKeySFQFQBSTPJJOMS-UHFFFAOYSA-N
MW302.37 g/mol
LogP5.12
Rot. Bonds3

About 9-ethoxy-9-phenylxanthene

9-ethoxy-9-phenylxanthene (PubChem CID 620899) has the molecular formula C21H18O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is 9-ethoxy-9-phenylxanthene.

Molecular Properties

Compound Name9-ethoxy-9-phenylxanthene
PubChem CID620899
Molecular FormulaC21H18O2
Molecular Weight302.37 g/mol
Exact Mass302.13
IUPAC Name9-ethoxy-9-phenylxanthene
SMILESCCOC1(c2ccccc2)c2ccccc2Oc2ccccc21
InChIInChI=1S/C21H18O2/c1-2-22-21(16-10-4-3-5-11-16)17-12-6-8-14-19(17)23-20-15-9-7-13-18(20)21/h3-15H,2H2,1H3
InChIKeySFQFQBSTPJJOMS-UHFFFAOYSA-N
XLogP5.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.37
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-ethoxy-9-phenylxanthene 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 9-ethoxy-9-phenylxanthene?
The IUPAC name of 9-ethoxy-9-phenylxanthene (CID 620899) is 9-ethoxy-9-phenylxanthene.
What is the SMILES notation for 9-ethoxy-9-phenylxanthene?
The canonical SMILES for 9-ethoxy-9-phenylxanthene is CCOC1(c2ccccc2)c2ccccc2Oc2ccccc21.
What is the InChIKey of 9-ethoxy-9-phenylxanthene?
The InChIKey is SFQFQBSTPJJOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O2/c1-2-22-21(16-10-4-3-5-11-16)17-12-6-8-14-19(17)23-20-15-9-7-13-18(20)21/h3-15H,2H2,1H3.
What are the key properties of 9-ethoxy-9-phenylxanthene?
9-ethoxy-9-phenylxanthene has a molecular weight of 302.37 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethoxy-9-phenylxanthene is sourced from PubChem (CID 620899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).