1-phenyl-2-(9H-xanthen-9-yl)ethanone

C21H16O2 — CID 12510354

IUPAC1-phenyl-2-(9H-xanthen-9-yl)ethanone
SMILESO=C(CC1c2ccccc2Oc2ccccc21)c1ccccc1
InChIInChI=1S/C21H16O2/c22-19(15-8-2-1-3-9-15)14-18-16-10-4-6-12-20(16)23-21-13-7-5-11-17(18)21/h1-13,18H,14H2
InChIKeyUAJRGPMTKZTHPH-UHFFFAOYSA-N
MW300.36 g/mol
LogP5.20
Rot. Bonds3

About 1-phenyl-2-(9H-xanthen-9-yl)ethanone

1-phenyl-2-(9H-xanthen-9-yl)ethanone (PubChem CID 12510354) has the molecular formula C21H16O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-phenyl-2-(9H-xanthen-9-yl)ethanone.

Molecular Properties

Compound Name1-phenyl-2-(9H-xanthen-9-yl)ethanone
PubChem CID12510354
Molecular FormulaC21H16O2
Molecular Weight300.36 g/mol
Exact Mass300.12
IUPAC Name1-phenyl-2-(9H-xanthen-9-yl)ethanone
SMILESO=C(CC1c2ccccc2Oc2ccccc21)c1ccccc1
InChIInChI=1S/C21H16O2/c22-19(15-8-2-1-3-9-15)14-18-16-10-4-6-12-20(16)23-21-13-7-5-11-17(18)21/h1-13,18H,14H2
InChIKeyUAJRGPMTKZTHPH-UHFFFAOYSA-N
XLogP5.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.36
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(9H-xanthen-9-yl)ethanone?
The IUPAC name of 1-phenyl-2-(9H-xanthen-9-yl)ethanone (CID 12510354) is 1-phenyl-2-(9H-xanthen-9-yl)ethanone.
What is the SMILES notation for 1-phenyl-2-(9H-xanthen-9-yl)ethanone?
The canonical SMILES for 1-phenyl-2-(9H-xanthen-9-yl)ethanone is O=C(CC1c2ccccc2Oc2ccccc21)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(9H-xanthen-9-yl)ethanone?
The InChIKey is UAJRGPMTKZTHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O2/c22-19(15-8-2-1-3-9-15)14-18-16-10-4-6-12-20(16)23-21-13-7-5-11-17(18)21/h1-13,18H,14H2.
What are the key properties of 1-phenyl-2-(9H-xanthen-9-yl)ethanone?
1-phenyl-2-(9H-xanthen-9-yl)ethanone has a molecular weight of 300.36 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(9H-xanthen-9-yl)ethanone is sourced from PubChem (CID 12510354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).