7-methoxy-4-methyl-3-(trifluoromethyl)chromen-2-one

C12H9F3O3 — CID 73437941

IUPAC7-methoxy-4-methyl-3-(trifluoromethyl)chromen-2-one
SMILESCOc1ccc2c(C)c(C(F)(F)F)c(=O)oc2c1
InChIInChI=1S/C12H9F3O3/c1-6-8-4-3-7(17-2)5-9(8)18-11(16)10(6)12(13,14)15/h3-5H,1-2H3
InChIKeyCGYFHJAYSLMDRV-UHFFFAOYSA-N
MW258.19 g/mol
LogP3.13
Rot. Bonds1

About 7-methoxy-4-methyl-3-(trifluoromethyl)chromen-2-one

7-methoxy-4-methyl-3-(trifluoromethyl)chromen-2-one (PubChem CID 73437941) has the molecular formula C12H9F3O3 and a molecular weight of 258.19 g/mol. Its IUPAC name is 7-methoxy-4-methyl-3-(trifluoromethyl)chromen-2-one.

Molecular Properties

Compound Name7-methoxy-4-methyl-3-(trifluoromethyl)chromen-2-one
PubChem CID73437941
Molecular FormulaC12H9F3O3
Molecular Weight258.19 g/mol
Exact Mass258.05
IUPAC Name7-methoxy-4-methyl-3-(trifluoromethyl)chromen-2-one
SMILESCOc1ccc2c(C)c(C(F)(F)F)c(=O)oc2c1
InChIInChI=1S/C12H9F3O3/c1-6-8-4-3-7(17-2)5-9(8)18-11(16)10(6)12(13,14)15/h3-5H,1-2H3
InChIKeyCGYFHJAYSLMDRV-UHFFFAOYSA-N
XLogP3.13
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-4-(trifluoromethyl)chromen-2-one
CID 688586
7-methoxy-4-methyl-3-nitrochromen-2-one
CID 118081099
3-(2-aminoethyl)-7-methoxy-4-methylchromen-2-one
CID 129053570
7-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methylchromen-2-one
CID 52945027
3-(3,4-dichlorophenyl)-7-methoxy-4-methylchromen-2-one
CID 2372490
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 55705982
2-[2-[2-[4-methyl-2-oxo-3-(1,1,2,2,2-pentafluoroethyl)chromen-7-yl]oxyethoxy]ethoxy]ethyl propanoate
CID 164597508
europium;4-hydroxy-7-methoxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;dihydrate
CID 177066413
3-(4-chloro-2-methoxyphenyl)-7-methoxy-4-methylchromen-2-one
CID 118183882
(3,4-dimethyl-2-oxochromen-7-yl) 3-methoxybenzoate
CID 906943
7-methoxy-4-oxahexacyclo[12.12.0.02,11.05,10.015,20.021,26]hexacosa-1(14),2(11),5(10),6,8,12,15,17,19,21,23,25-dodecaen-3-one
CID 118617499
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 46478105

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-methyl-3-(trifluoromethyl)chromen-2-one?
The IUPAC name of 7-methoxy-4-methyl-3-(trifluoromethyl)chromen-2-one (CID 73437941) is 7-methoxy-4-methyl-3-(trifluoromethyl)chromen-2-one.
What is the SMILES notation for 7-methoxy-4-methyl-3-(trifluoromethyl)chromen-2-one?
The canonical SMILES for 7-methoxy-4-methyl-3-(trifluoromethyl)chromen-2-one is COc1ccc2c(C)c(C(F)(F)F)c(=O)oc2c1.
What is the InChIKey of 7-methoxy-4-methyl-3-(trifluoromethyl)chromen-2-one?
The InChIKey is CGYFHJAYSLMDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3O3/c1-6-8-4-3-7(17-2)5-9(8)18-11(16)10(6)12(13,14)15/h3-5H,1-2H3.
What are the key properties of 7-methoxy-4-methyl-3-(trifluoromethyl)chromen-2-one?
7-methoxy-4-methyl-3-(trifluoromethyl)chromen-2-one has a molecular weight of 258.19 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-methyl-3-(trifluoromethyl)chromen-2-one is sourced from PubChem (CID 73437941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).