1-benzylxanthen-9-one

C20H14O2 — CID 18759523

IUPAC1-benzylxanthen-9-one
SMILESO=c1c2ccccc2oc2cccc(Cc3ccccc3)c12
InChIInChI=1S/C20H14O2/c21-20-16-10-4-5-11-17(16)22-18-12-6-9-15(19(18)20)13-14-7-2-1-3-8-14/h1-12H,13H2
InChIKeyVFNXJXWUJGUVGU-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.54
Rot. Bonds2

About 1-benzylxanthen-9-one

1-benzylxanthen-9-one (PubChem CID 18759523) has the molecular formula C20H14O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-benzylxanthen-9-one.

Molecular Properties

Compound Name1-benzylxanthen-9-one
PubChem CID18759523
Molecular FormulaC20H14O2
Molecular Weight286.33 g/mol
Exact Mass286.10
IUPAC Name1-benzylxanthen-9-one
SMILESO=c1c2ccccc2oc2cccc(Cc3ccccc3)c12
InChIInChI=1S/C20H14O2/c21-20-16-10-4-5-11-17(16)22-18-12-6-9-15(19(18)20)13-14-7-2-1-3-8-14/h1-12H,13H2
InChIKeyVFNXJXWUJGUVGU-UHFFFAOYSA-N
XLogP4.54
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-aminooxyxanthen-9-one
CID 163930862
propane;xanthen-9-one
CID 90876458
1-(2-benzoylphenyl)xanthen-9-one
CID 67637668
2-benzyl-4-oxochromene-3-carbonitrile
CID 102579889
4-ethylxanthen-9-one
CID 15075530
2-(9-oxoxanthen-4-yl)acetic acid;propane
CID 91358687
dibenzofuran-1-ylmethanethiol
CID 163683060
1-propan-2-ylsulfanylxanthen-9-one
CID 67242619
6,8,14-trioxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(13),2(10),3,5(9),11,15,17,19-octaen-21-one
CID 135193746
8-benzyl-2-phenylchromen-4-one
CID 69123022
1-prop-2-enylsulfanylxanthen-9-one
CID 129160664
1-(4-chlorophenyl)xanthen-9-one
CID 168812432

Frequently Asked Questions

What is the IUPAC name of 1-benzylxanthen-9-one?
The IUPAC name of 1-benzylxanthen-9-one (CID 18759523) is 1-benzylxanthen-9-one.
What is the SMILES notation for 1-benzylxanthen-9-one?
The canonical SMILES for 1-benzylxanthen-9-one is O=c1c2ccccc2oc2cccc(Cc3ccccc3)c12.
What is the InChIKey of 1-benzylxanthen-9-one?
The InChIKey is VFNXJXWUJGUVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O2/c21-20-16-10-4-5-11-17(16)22-18-12-6-9-15(19(18)20)13-14-7-2-1-3-8-14/h1-12H,13H2.
What are the key properties of 1-benzylxanthen-9-one?
1-benzylxanthen-9-one has a molecular weight of 286.33 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylxanthen-9-one is sourced from PubChem (CID 18759523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).