6-methyl-10-(trifluoromethyl)benzo[c]xanthen-7-one

C19H11F3O2 — CID 146176957

IUPAC6-methyl-10-(trifluoromethyl)benzo[c]xanthen-7-one
SMILESCc1cc2ccccc2c2oc3cc(C(F)(F)F)ccc3c(=O)c12
InChIInChI=1S/C19H11F3O2/c1-10-8-11-4-2-3-5-13(11)18-16(10)17(23)14-7-6-12(19(20,21)22)9-15(14)24-18/h2-9H,1H3
InChIKeyKAGUDJXSTONBHI-UHFFFAOYSA-N
MW328.29 g/mol
LogP5.43
Rot. Bonds

About 6-methyl-10-(trifluoromethyl)benzo[c]xanthen-7-one

6-methyl-10-(trifluoromethyl)benzo[c]xanthen-7-one (PubChem CID 146176957) has the molecular formula C19H11F3O2 and a molecular weight of 328.29 g/mol. Its IUPAC name is 6-methyl-10-(trifluoromethyl)benzo[c]xanthen-7-one.

Molecular Properties

Compound Name6-methyl-10-(trifluoromethyl)benzo[c]xanthen-7-one
PubChem CID146176957
Molecular FormulaC19H11F3O2
Molecular Weight328.29 g/mol
Exact Mass328.07
IUPAC Name6-methyl-10-(trifluoromethyl)benzo[c]xanthen-7-one
SMILESCc1cc2ccccc2c2oc3cc(C(F)(F)F)ccc3c(=O)c12
InChIInChI=1S/C19H11F3O2/c1-10-8-11-4-2-3-5-13(11)18-16(10)17(23)14-7-6-12(19(20,21)22)9-15(14)24-18/h2-9H,1H3
InChIKeyKAGUDJXSTONBHI-UHFFFAOYSA-N
XLogP5.43
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.29
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

3-methyl-9-(trifluoromethyl)benzo[a]xanthen-12-one
CID 135193813
2-methyl-9-(trifluoromethyl)benzo[a]xanthen-12-one
CID 135193767
2-methoxy-9-(trifluoromethyl)benzo[a]xanthen-12-one
CID 135196737
1-methoxy-9-(trifluoromethyl)benzo[a]xanthen-12-one
CID 135193815
3,8-bis(trifluoromethyl)benzo[b]xanthen-12-one
CID 135178908
3,9-bis(trifluoromethyl)benzo[b]xanthen-12-one
CID 135179044
10-methoxy-3-(trifluoromethyl)benzo[b]xanthen-12-one
CID 135167601
2-methyl-7-(trifluoromethyl)chromen-4-one
CID 125486339
7-(trifluoromethyl)-1,3-benzodioxine-2,4-dione
CID 23731268
2-methyl-3-[4-(trifluoromethyl)phenyl]furo[2,3-b]chromen-4-one
CID 163637979
3-methoxy-9-(trifluoromethyl)benzo[b]xanthen-12-one
CID 135178959
6-methyl-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine
CID 170296830

Frequently Asked Questions

What is the IUPAC name of 6-methyl-10-(trifluoromethyl)benzo[c]xanthen-7-one?
The IUPAC name of 6-methyl-10-(trifluoromethyl)benzo[c]xanthen-7-one (CID 146176957) is 6-methyl-10-(trifluoromethyl)benzo[c]xanthen-7-one.
What is the SMILES notation for 6-methyl-10-(trifluoromethyl)benzo[c]xanthen-7-one?
The canonical SMILES for 6-methyl-10-(trifluoromethyl)benzo[c]xanthen-7-one is Cc1cc2ccccc2c2oc3cc(C(F)(F)F)ccc3c(=O)c12.
What is the InChIKey of 6-methyl-10-(trifluoromethyl)benzo[c]xanthen-7-one?
The InChIKey is KAGUDJXSTONBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3O2/c1-10-8-11-4-2-3-5-13(11)18-16(10)17(23)14-7-6-12(19(20,21)22)9-15(14)24-18/h2-9H,1H3.
What are the key properties of 6-methyl-10-(trifluoromethyl)benzo[c]xanthen-7-one?
6-methyl-10-(trifluoromethyl)benzo[c]xanthen-7-one has a molecular weight of 328.29 g/mol, XLogP of 5.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-10-(trifluoromethyl)benzo[c]xanthen-7-one is sourced from PubChem (CID 146176957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).