8-methyl-3-(2-methylphenyl)-7-phenylmethoxy-2-(trifluoromethyl)chromen-4-one

C25H19F3O3 — CID 2064053

IUPAC8-methyl-3-(2-methylphenyl)-7-phenylmethoxy-2-(trifluoromethyl)chromen-4-one
SMILESCc1ccccc1-c1c(C(F)(F)F)oc2c(C)c(OCc3ccccc3)ccc2c1=O
InChIInChI=1S/C25H19F3O3/c1-15-8-6-7-11-18(15)21-22(29)19-12-13-20(30-14-17-9-4-3-5-10-17)16(2)23(19)31-24(21)25(26,27)28/h3-13H,14H2,1-2H3
InChIKeyMIAOVSUOHFORTQ-UHFFFAOYSA-N
MW424.42 g/mol
LogP6.67
Rot. Bonds4

About 8-methyl-3-(2-methylphenyl)-7-phenylmethoxy-2-(trifluoromethyl)chromen-4-one

8-methyl-3-(2-methylphenyl)-7-phenylmethoxy-2-(trifluoromethyl)chromen-4-one (PubChem CID 2064053) has the molecular formula C25H19F3O3 and a molecular weight of 424.42 g/mol. Its IUPAC name is 8-methyl-3-(2-methylphenyl)-7-phenylmethoxy-2-(trifluoromethyl)chromen-4-one.

Molecular Properties

Compound Name8-methyl-3-(2-methylphenyl)-7-phenylmethoxy-2-(trifluoromethyl)chromen-4-one
PubChem CID2064053
Molecular FormulaC25H19F3O3
Molecular Weight424.42 g/mol
Exact Mass424.13
IUPAC Name8-methyl-3-(2-methylphenyl)-7-phenylmethoxy-2-(trifluoromethyl)chromen-4-one
SMILESCc1ccccc1-c1c(C(F)(F)F)oc2c(C)c(OCc3ccccc3)ccc2c1=O
InChIInChI=1S/C25H19F3O3/c1-15-8-6-7-11-18(15)21-22(29)19-12-13-20(30-14-17-9-4-3-5-10-17)16(2)23(19)31-24(21)25(26,27)28/h3-13H,14H2,1-2H3
InChIKeyMIAOVSUOHFORTQ-UHFFFAOYSA-N
XLogP6.67
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.42
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-ethoxy-8-methyl-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one
CID 1330568
4-butyl-8-methyl-7-phenylmethoxychromen-2-one
CID 2902407
3-bromo-2-ethyl-8-methyl-7-[[3-(trifluoromethyl)phenyl]methoxy]chromen-4-one
CID 57379959
2-[2-(3-aminophenyl)ethyl]-3,8-dimethyl-7-phenylmethoxychromen-4-one
CID 144577684
N-fluoro-4-hydroxy-8-methyl-2-oxo-N-phenyl-7-phenylmethoxychromene-3-carboxamide
CID 57126626
benzyl 2-[8-methyl-2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetate
CID 1331944
[3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-2-(trifluoromethyl)chromen-7-yl] furan-2-carboxylate
CID 2923248
3-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxymethyl]benzoic acid
CID 20987024
ethyl 2-[(4,8-dimethyl-2-oxo-7-phenylmethoxychromen-3-yl)amino]acetate
CID 102381033
7-[(2-methoxyphenyl)methoxy]-3,4,8-trimethylchromen-2-one
CID 800958
2-[4,8-dimethyl-2-oxo-7-[[3-(trifluoromethyl)phenyl]methoxy]chromen-3-yl]acetic acid;2-[7-[(3-iodophenyl)methoxy]-4,8-dimethyl-2-oxochromen-3-yl]acetic acid
CID 163607907
3-[4,8-dimethyl-2-oxo-7-[(4-phenylphenyl)methoxy]chromen-3-yl]propanoic acid
CID 71462562

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(2-methylphenyl)-7-phenylmethoxy-2-(trifluoromethyl)chromen-4-one?
The IUPAC name of 8-methyl-3-(2-methylphenyl)-7-phenylmethoxy-2-(trifluoromethyl)chromen-4-one (CID 2064053) is 8-methyl-3-(2-methylphenyl)-7-phenylmethoxy-2-(trifluoromethyl)chromen-4-one.
What is the SMILES notation for 8-methyl-3-(2-methylphenyl)-7-phenylmethoxy-2-(trifluoromethyl)chromen-4-one?
The canonical SMILES for 8-methyl-3-(2-methylphenyl)-7-phenylmethoxy-2-(trifluoromethyl)chromen-4-one is Cc1ccccc1-c1c(C(F)(F)F)oc2c(C)c(OCc3ccccc3)ccc2c1=O.
What is the InChIKey of 8-methyl-3-(2-methylphenyl)-7-phenylmethoxy-2-(trifluoromethyl)chromen-4-one?
The InChIKey is MIAOVSUOHFORTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3O3/c1-15-8-6-7-11-18(15)21-22(29)19-12-13-20(30-14-17-9-4-3-5-10-17)16(2)23(19)31-24(21)25(26,27)28/h3-13H,14H2,1-2H3.
What are the key properties of 8-methyl-3-(2-methylphenyl)-7-phenylmethoxy-2-(trifluoromethyl)chromen-4-one?
8-methyl-3-(2-methylphenyl)-7-phenylmethoxy-2-(trifluoromethyl)chromen-4-one has a molecular weight of 424.42 g/mol, XLogP of 6.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(2-methylphenyl)-7-phenylmethoxy-2-(trifluoromethyl)chromen-4-one is sourced from PubChem (CID 2064053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).