9-methoxy-12-phenylbenzo[a]xanthen-4-one

C24H16O3 — CID 70908154

IUPAC9-methoxy-12-phenylbenzo[a]xanthen-4-one
SMILESCOc1ccc2c(-c3ccccc3)c3c(ccc4c(=O)cccc43)oc2c1
InChIInChI=1S/C24H16O3/c1-26-16-10-11-19-22(14-16)27-21-13-12-17-18(8-5-9-20(17)25)24(21)23(19)15-6-3-2-4-7-15/h2-14H,1H3
InChIKeyARPGNUXYPXQOBX-UHFFFAOYSA-N
MW352.39 g/mol
LogP5.78
Rot. Bonds2

About 9-methoxy-12-phenylbenzo[a]xanthen-4-one

9-methoxy-12-phenylbenzo[a]xanthen-4-one (PubChem CID 70908154) has the molecular formula C24H16O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 9-methoxy-12-phenylbenzo[a]xanthen-4-one.

Molecular Properties

Compound Name9-methoxy-12-phenylbenzo[a]xanthen-4-one
PubChem CID70908154
Molecular FormulaC24H16O3
Molecular Weight352.39 g/mol
Exact Mass352.11
IUPAC Name9-methoxy-12-phenylbenzo[a]xanthen-4-one
SMILESCOc1ccc2c(-c3ccccc3)c3c(ccc4c(=O)cccc43)oc2c1
InChIInChI=1S/C24H16O3/c1-26-16-10-11-19-22(14-16)27-21-13-12-17-18(8-5-9-20(17)25)24(21)23(19)15-6-3-2-4-7-15/h2-14H,1H3
InChIKeyARPGNUXYPXQOBX-UHFFFAOYSA-N
XLogP5.78
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.39
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-12-phenylbenzo[a]xanthen-4-one?
The IUPAC name of 9-methoxy-12-phenylbenzo[a]xanthen-4-one (CID 70908154) is 9-methoxy-12-phenylbenzo[a]xanthen-4-one.
What is the SMILES notation for 9-methoxy-12-phenylbenzo[a]xanthen-4-one?
The canonical SMILES for 9-methoxy-12-phenylbenzo[a]xanthen-4-one is COc1ccc2c(-c3ccccc3)c3c(ccc4c(=O)cccc43)oc2c1.
What is the InChIKey of 9-methoxy-12-phenylbenzo[a]xanthen-4-one?
The InChIKey is ARPGNUXYPXQOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16O3/c1-26-16-10-11-19-22(14-16)27-21-13-12-17-18(8-5-9-20(17)25)24(21)23(19)15-6-3-2-4-7-15/h2-14H,1H3.
What are the key properties of 9-methoxy-12-phenylbenzo[a]xanthen-4-one?
9-methoxy-12-phenylbenzo[a]xanthen-4-one has a molecular weight of 352.39 g/mol, XLogP of 5.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-12-phenylbenzo[a]xanthen-4-one is sourced from PubChem (CID 70908154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).