9-phenoxy-9H-xanthene

C19H14O2 — CID 66915285

IUPAC9-phenoxy-9H-xanthene
SMILESc1ccc(OC2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C19H14O2/c1-2-8-14(9-3-1)20-19-15-10-4-6-12-17(15)21-18-13-7-5-11-16(18)19/h1-13,19H
InChIKeyXVHHLBLFOAZBRS-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.96
Rot. Bonds2

About 9-phenoxy-9H-xanthene

9-phenoxy-9H-xanthene (PubChem CID 66915285) has the molecular formula C19H14O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 9-phenoxy-9H-xanthene.

Molecular Properties

Compound Name9-phenoxy-9H-xanthene
PubChem CID66915285
Molecular FormulaC19H14O2
Molecular Weight274.32 g/mol
Exact Mass274.10
IUPAC Name9-phenoxy-9H-xanthene
SMILESc1ccc(OC2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C19H14O2/c1-2-8-14(9-3-1)20-19-15-10-4-6-12-17(15)21-18-13-7-5-11-16(18)19/h1-13,19H
InChIKeyXVHHLBLFOAZBRS-UHFFFAOYSA-N
XLogP4.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-phenoxy-9H-xanthene?
The IUPAC name of 9-phenoxy-9H-xanthene (CID 66915285) is 9-phenoxy-9H-xanthene.
What is the SMILES notation for 9-phenoxy-9H-xanthene?
The canonical SMILES for 9-phenoxy-9H-xanthene is c1ccc(OC2c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of 9-phenoxy-9H-xanthene?
The InChIKey is XVHHLBLFOAZBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O2/c1-2-8-14(9-3-1)20-19-15-10-4-6-12-17(15)21-18-13-7-5-11-16(18)19/h1-13,19H.
What are the key properties of 9-phenoxy-9H-xanthene?
9-phenoxy-9H-xanthene has a molecular weight of 274.32 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenoxy-9H-xanthene is sourced from PubChem (CID 66915285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).