methyl 3-methoxy-1-phenyl-6-(trifluoromethyl)-1H-indene-2-carboxylate

C19H15F3O3 — CID 11961481

IUPACmethyl 3-methoxy-1-phenyl-6-(trifluoromethyl)-1H-indene-2-carboxylate
SMILESCOC(=O)C1=C(OC)c2ccc(C(F)(F)F)cc2C1c1ccccc1
InChIInChI=1S/C19H15F3O3/c1-24-17-13-9-8-12(19(20,21)22)10-14(13)15(16(17)18(23)25-2)11-6-4-3-5-7-11/h3-10,15H,1-2H3
InChIKeyKIFVHELCJIHWGX-UHFFFAOYSA-N
MW348.32 g/mol
LogP4.38
Rot. Bonds3

About methyl 3-methoxy-1-phenyl-6-(trifluoromethyl)-1H-indene-2-carboxylate

methyl 3-methoxy-1-phenyl-6-(trifluoromethyl)-1H-indene-2-carboxylate (PubChem CID 11961481) has the molecular formula C19H15F3O3 and a molecular weight of 348.32 g/mol. Its IUPAC name is methyl 3-methoxy-1-phenyl-6-(trifluoromethyl)-1H-indene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-methoxy-1-phenyl-6-(trifluoromethyl)-1H-indene-2-carboxylate
PubChem CID11961481
Molecular FormulaC19H15F3O3
Molecular Weight348.32 g/mol
Exact Mass348.10
IUPAC Namemethyl 3-methoxy-1-phenyl-6-(trifluoromethyl)-1H-indene-2-carboxylate
SMILESCOC(=O)C1=C(OC)c2ccc(C(F)(F)F)cc2C1c1ccccc1
InChIInChI=1S/C19H15F3O3/c1-24-17-13-9-8-12(19(20,21)22)10-14(13)15(16(17)18(23)25-2)11-6-4-3-5-7-11/h3-10,15H,1-2H3
InChIKeyKIFVHELCJIHWGX-UHFFFAOYSA-N
XLogP4.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-1-phenyl-6-(trifluoromethyl)-1H-indene-2-carboxylate?
The IUPAC name of methyl 3-methoxy-1-phenyl-6-(trifluoromethyl)-1H-indene-2-carboxylate (CID 11961481) is methyl 3-methoxy-1-phenyl-6-(trifluoromethyl)-1H-indene-2-carboxylate.
What is the SMILES notation for methyl 3-methoxy-1-phenyl-6-(trifluoromethyl)-1H-indene-2-carboxylate?
The canonical SMILES for methyl 3-methoxy-1-phenyl-6-(trifluoromethyl)-1H-indene-2-carboxylate is COC(=O)C1=C(OC)c2ccc(C(F)(F)F)cc2C1c1ccccc1.
What is the InChIKey of methyl 3-methoxy-1-phenyl-6-(trifluoromethyl)-1H-indene-2-carboxylate?
The InChIKey is KIFVHELCJIHWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3O3/c1-24-17-13-9-8-12(19(20,21)22)10-14(13)15(16(17)18(23)25-2)11-6-4-3-5-7-11/h3-10,15H,1-2H3.
What are the key properties of methyl 3-methoxy-1-phenyl-6-(trifluoromethyl)-1H-indene-2-carboxylate?
methyl 3-methoxy-1-phenyl-6-(trifluoromethyl)-1H-indene-2-carboxylate has a molecular weight of 348.32 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-1-phenyl-6-(trifluoromethyl)-1H-indene-2-carboxylate is sourced from PubChem (CID 11961481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).