10-methoxy-3-(trifluoromethyl)benzo[b]xanthen-12-one

C19H11F3O3 — CID 135167601

IUPAC10-methoxy-3-(trifluoromethyl)benzo[b]xanthen-12-one
SMILESCOc1cccc2cc3oc4cc(C(F)(F)F)ccc4c(=O)c3cc12
InChIInChI=1S/C19H11F3O3/c1-24-15-4-2-3-10-7-16-14(9-13(10)15)18(23)12-6-5-11(19(20,21)22)8-17(12)25-16/h2-9H,1H3
InChIKeyGSKJZYOYRXEMRO-UHFFFAOYSA-N
MW344.29 g/mol
LogP5.13
Rot. Bonds1

About 10-methoxy-3-(trifluoromethyl)benzo[b]xanthen-12-one

10-methoxy-3-(trifluoromethyl)benzo[b]xanthen-12-one (PubChem CID 135167601) has the molecular formula C19H11F3O3 and a molecular weight of 344.29 g/mol. Its IUPAC name is 10-methoxy-3-(trifluoromethyl)benzo[b]xanthen-12-one.

Molecular Properties

Compound Name10-methoxy-3-(trifluoromethyl)benzo[b]xanthen-12-one
PubChem CID135167601
Molecular FormulaC19H11F3O3
Molecular Weight344.29 g/mol
Exact Mass344.07
IUPAC Name10-methoxy-3-(trifluoromethyl)benzo[b]xanthen-12-one
SMILESCOc1cccc2cc3oc4cc(C(F)(F)F)ccc4c(=O)c3cc12
InChIInChI=1S/C19H11F3O3/c1-24-15-4-2-3-10-7-16-14(9-13(10)15)18(23)12-6-5-11(19(20,21)22)8-17(12)25-16/h2-9H,1H3
InChIKeyGSKJZYOYRXEMRO-UHFFFAOYSA-N
XLogP5.13
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.29
LogP ≤ 55.13
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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Related Compounds

1-methoxy-9-(trifluoromethyl)benzo[a]xanthen-12-one
CID 135193815
2-fluoro-10-methoxybenzo[b]xanthen-12-one
CID 135167611
3-methoxy-9-(trifluoromethyl)benzo[b]xanthen-12-one
CID 135178959
3,8-bis(trifluoromethyl)benzo[b]xanthen-12-one
CID 135178908
3,9-bis(trifluoromethyl)benzo[b]xanthen-12-one
CID 135179044
2-methoxy-9-(trifluoromethyl)benzo[a]xanthen-12-one
CID 135196737
10-(trifluoromethyl)benzo[b]xanthen-12-one
CID 135167546
3-methyl-9-(trifluoromethyl)benzo[a]xanthen-12-one
CID 135193813
6-methyl-10-(trifluoromethyl)benzo[c]xanthen-7-one
CID 146176957
2-methyl-9-(trifluoromethyl)benzo[a]xanthen-12-one
CID 135193767
7-(trifluoromethyl)-1,3-benzodioxine-2,4-dione
CID 23731268
2-tert-butyl-5-methoxyxanthen-9-one
CID 164685848

Frequently Asked Questions

What is the IUPAC name of 10-methoxy-3-(trifluoromethyl)benzo[b]xanthen-12-one?
The IUPAC name of 10-methoxy-3-(trifluoromethyl)benzo[b]xanthen-12-one (CID 135167601) is 10-methoxy-3-(trifluoromethyl)benzo[b]xanthen-12-one.
What is the SMILES notation for 10-methoxy-3-(trifluoromethyl)benzo[b]xanthen-12-one?
The canonical SMILES for 10-methoxy-3-(trifluoromethyl)benzo[b]xanthen-12-one is COc1cccc2cc3oc4cc(C(F)(F)F)ccc4c(=O)c3cc12.
What is the InChIKey of 10-methoxy-3-(trifluoromethyl)benzo[b]xanthen-12-one?
The InChIKey is GSKJZYOYRXEMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3O3/c1-24-15-4-2-3-10-7-16-14(9-13(10)15)18(23)12-6-5-11(19(20,21)22)8-17(12)25-16/h2-9H,1H3.
What are the key properties of 10-methoxy-3-(trifluoromethyl)benzo[b]xanthen-12-one?
10-methoxy-3-(trifluoromethyl)benzo[b]xanthen-12-one has a molecular weight of 344.29 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-3-(trifluoromethyl)benzo[b]xanthen-12-one is sourced from PubChem (CID 135167601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).