methyl 1-oxo-5-[4-(trifluoromethoxy)phenoxy]-2,3-dihydroindene-4-carboxylate

C18H13F3O5 — CID 137406823

IUPACmethyl 1-oxo-5-[4-(trifluoromethoxy)phenoxy]-2,3-dihydroindene-4-carboxylate
SMILESCOC(=O)c1c(Oc2ccc(OC(F)(F)F)cc2)ccc2c1CCC2=O
InChIInChI=1S/C18H13F3O5/c1-24-17(23)16-13-6-8-14(22)12(13)7-9-15(16)25-10-2-4-11(5-3-10)26-18(19,20)21/h2-5,7,9H,6,8H2,1H3
InChIKeyJNAOLVBIAJMNDL-UHFFFAOYSA-N
MW366.29 g/mol
LogP4.29
Rot. Bonds4

About methyl 1-oxo-5-[4-(trifluoromethoxy)phenoxy]-2,3-dihydroindene-4-carboxylate

methyl 1-oxo-5-[4-(trifluoromethoxy)phenoxy]-2,3-dihydroindene-4-carboxylate (PubChem CID 137406823) has the molecular formula C18H13F3O5 and a molecular weight of 366.29 g/mol. Its IUPAC name is methyl 1-oxo-5-[4-(trifluoromethoxy)phenoxy]-2,3-dihydroindene-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-oxo-5-[4-(trifluoromethoxy)phenoxy]-2,3-dihydroindene-4-carboxylate
PubChem CID137406823
Molecular FormulaC18H13F3O5
Molecular Weight366.29 g/mol
Exact Mass366.07
IUPAC Namemethyl 1-oxo-5-[4-(trifluoromethoxy)phenoxy]-2,3-dihydroindene-4-carboxylate
SMILESCOC(=O)c1c(Oc2ccc(OC(F)(F)F)cc2)ccc2c1CCC2=O
InChIInChI=1S/C18H13F3O5/c1-24-17(23)16-13-6-8-14(22)12(13)7-9-15(16)25-10-2-4-11(5-3-10)26-18(19,20)21/h2-5,7,9H,6,8H2,1H3
InChIKeyJNAOLVBIAJMNDL-UHFFFAOYSA-N
XLogP4.29
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,1-difluoro-5-[4-(trifluoromethoxy)phenoxy]-2,3-dihydroindene-4-carboxylic acid;methyl 1,1-difluoro-5-[4-(trifluoromethoxy)phenoxy]-2,3-dihydroindene-4-carboxylate
CID 158026132
methyl 1,1-difluoro-5-[4-(trifluoromethoxy)phenoxy]indene-4-carboxylate
CID 137406474
5-(trifluoromethoxy)-2,3-dihydroinden-1-one
CID 22119026
ethane;methyl 2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-6-[4-(trifluoromethoxy)phenoxy]benzoate
CID 142516862
methyl 4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzoate
CID 66707351
3-cyclopropyl-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]benzoyl chloride
CID 137406421
methyl 3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxylate
CID 137406864
N-(4-carbamoylphenyl)-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide
CID 137410942
8-(trifluoromethoxy)-3,4-dihydro-2H-1-benzothiepin-5-one
CID 127264118
methyl 4-(amino-fluoro-iodomethoxy)benzoate
CID 140697614
methyl 6-cyano-2-hydroxy-3-(trifluoromethoxy)benzoate
CID 134647662
methyl 2,6-bis[4-(trifluoromethoxy)phenyl]pyridine-4-carboxylate
CID 134634051

Frequently Asked Questions

What is the IUPAC name of methyl 1-oxo-5-[4-(trifluoromethoxy)phenoxy]-2,3-dihydroindene-4-carboxylate?
The IUPAC name of methyl 1-oxo-5-[4-(trifluoromethoxy)phenoxy]-2,3-dihydroindene-4-carboxylate (CID 137406823) is methyl 1-oxo-5-[4-(trifluoromethoxy)phenoxy]-2,3-dihydroindene-4-carboxylate.
What is the SMILES notation for methyl 1-oxo-5-[4-(trifluoromethoxy)phenoxy]-2,3-dihydroindene-4-carboxylate?
The canonical SMILES for methyl 1-oxo-5-[4-(trifluoromethoxy)phenoxy]-2,3-dihydroindene-4-carboxylate is COC(=O)c1c(Oc2ccc(OC(F)(F)F)cc2)ccc2c1CCC2=O.
What is the InChIKey of methyl 1-oxo-5-[4-(trifluoromethoxy)phenoxy]-2,3-dihydroindene-4-carboxylate?
The InChIKey is JNAOLVBIAJMNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3O5/c1-24-17(23)16-13-6-8-14(22)12(13)7-9-15(16)25-10-2-4-11(5-3-10)26-18(19,20)21/h2-5,7,9H,6,8H2,1H3.
What are the key properties of methyl 1-oxo-5-[4-(trifluoromethoxy)phenoxy]-2,3-dihydroindene-4-carboxylate?
methyl 1-oxo-5-[4-(trifluoromethoxy)phenoxy]-2,3-dihydroindene-4-carboxylate has a molecular weight of 366.29 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-oxo-5-[4-(trifluoromethoxy)phenoxy]-2,3-dihydroindene-4-carboxylate is sourced from PubChem (CID 137406823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).