1-(2-benzoylphenyl)xanthen-9-one

C26H16O3 — CID 67637668

IUPAC1-(2-benzoylphenyl)xanthen-9-one
SMILESO=C(c1ccccc1)c1ccccc1-c1cccc2oc3ccccc3c(=O)c12
InChIInChI=1S/C26H16O3/c27-25(17-9-2-1-3-10-17)20-12-5-4-11-18(20)19-14-8-16-23-24(19)26(28)21-13-6-7-15-22(21)29-23/h1-16H
InChIKeyMGLDPHSOCIVVKC-UHFFFAOYSA-N
MW376.41 g/mol
LogP5.84
Rot. Bonds3

About 1-(2-benzoylphenyl)xanthen-9-one

1-(2-benzoylphenyl)xanthen-9-one (PubChem CID 67637668) has the molecular formula C26H16O3 and a molecular weight of 376.41 g/mol. Its IUPAC name is 1-(2-benzoylphenyl)xanthen-9-one.

Molecular Properties

Compound Name1-(2-benzoylphenyl)xanthen-9-one
PubChem CID67637668
Molecular FormulaC26H16O3
Molecular Weight376.41 g/mol
Exact Mass376.11
IUPAC Name1-(2-benzoylphenyl)xanthen-9-one
SMILESO=C(c1ccccc1)c1ccccc1-c1cccc2oc3ccccc3c(=O)c12
InChIInChI=1S/C26H16O3/c27-25(17-9-2-1-3-10-17)20-12-5-4-11-18(20)19-14-8-16-23-24(19)26(28)21-13-6-7-15-22(21)29-23/h1-16H
InChIKeyMGLDPHSOCIVVKC-UHFFFAOYSA-N
XLogP5.84
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.41
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-benzoylphenyl)xanthen-9-one?
The IUPAC name of 1-(2-benzoylphenyl)xanthen-9-one (CID 67637668) is 1-(2-benzoylphenyl)xanthen-9-one.
What is the SMILES notation for 1-(2-benzoylphenyl)xanthen-9-one?
The canonical SMILES for 1-(2-benzoylphenyl)xanthen-9-one is O=C(c1ccccc1)c1ccccc1-c1cccc2oc3ccccc3c(=O)c12.
What is the InChIKey of 1-(2-benzoylphenyl)xanthen-9-one?
The InChIKey is MGLDPHSOCIVVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16O3/c27-25(17-9-2-1-3-10-17)20-12-5-4-11-18(20)19-14-8-16-23-24(19)26(28)21-13-6-7-15-22(21)29-23/h1-16H.
What are the key properties of 1-(2-benzoylphenyl)xanthen-9-one?
1-(2-benzoylphenyl)xanthen-9-one has a molecular weight of 376.41 g/mol, XLogP of 5.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzoylphenyl)xanthen-9-one is sourced from PubChem (CID 67637668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).