8-methoxy-7-[4-(trifluoromethyl)phenoxy]-2,3-dihydrochromen-4-one

C17H13F3O4 — CID 135373615

IUPAC8-methoxy-7-[4-(trifluoromethyl)phenoxy]-2,3-dihydrochromen-4-one
SMILESCOc1c(Oc2ccc(C(F)(F)F)cc2)ccc2c1OCCC2=O
InChIInChI=1S/C17H13F3O4/c1-22-16-14(7-6-12-13(21)8-9-23-15(12)16)24-11-4-2-10(3-5-11)17(18,19)20/h2-7H,8-9H2,1H3
InChIKeyFLRIIHBDFZMTSC-UHFFFAOYSA-N
MW338.28 g/mol
LogP4.47
Rot. Bonds3

About 8-methoxy-7-[4-(trifluoromethyl)phenoxy]-2,3-dihydrochromen-4-one

8-methoxy-7-[4-(trifluoromethyl)phenoxy]-2,3-dihydrochromen-4-one (PubChem CID 135373615) has the molecular formula C17H13F3O4 and a molecular weight of 338.28 g/mol. Its IUPAC name is 8-methoxy-7-[4-(trifluoromethyl)phenoxy]-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name8-methoxy-7-[4-(trifluoromethyl)phenoxy]-2,3-dihydrochromen-4-one
PubChem CID135373615
Molecular FormulaC17H13F3O4
Molecular Weight338.28 g/mol
Exact Mass338.08
IUPAC Name8-methoxy-7-[4-(trifluoromethyl)phenoxy]-2,3-dihydrochromen-4-one
SMILESCOc1c(Oc2ccc(C(F)(F)F)cc2)ccc2c1OCCC2=O
InChIInChI=1S/C17H13F3O4/c1-22-16-14(7-6-12-13(21)8-9-23-15(12)16)24-11-4-2-10(3-5-11)17(18,19)20/h2-7H,8-9H2,1H3
InChIKeyFLRIIHBDFZMTSC-UHFFFAOYSA-N
XLogP4.47
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.28
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-7-[4-(trifluoromethyl)phenoxy]-2,3-dihydrochromen-4-one?
The IUPAC name of 8-methoxy-7-[4-(trifluoromethyl)phenoxy]-2,3-dihydrochromen-4-one (CID 135373615) is 8-methoxy-7-[4-(trifluoromethyl)phenoxy]-2,3-dihydrochromen-4-one.
What is the SMILES notation for 8-methoxy-7-[4-(trifluoromethyl)phenoxy]-2,3-dihydrochromen-4-one?
The canonical SMILES for 8-methoxy-7-[4-(trifluoromethyl)phenoxy]-2,3-dihydrochromen-4-one is COc1c(Oc2ccc(C(F)(F)F)cc2)ccc2c1OCCC2=O.
What is the InChIKey of 8-methoxy-7-[4-(trifluoromethyl)phenoxy]-2,3-dihydrochromen-4-one?
The InChIKey is FLRIIHBDFZMTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3O4/c1-22-16-14(7-6-12-13(21)8-9-23-15(12)16)24-11-4-2-10(3-5-11)17(18,19)20/h2-7H,8-9H2,1H3.
What are the key properties of 8-methoxy-7-[4-(trifluoromethyl)phenoxy]-2,3-dihydrochromen-4-one?
8-methoxy-7-[4-(trifluoromethyl)phenoxy]-2,3-dihydrochromen-4-one has a molecular weight of 338.28 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-7-[4-(trifluoromethyl)phenoxy]-2,3-dihydrochromen-4-one is sourced from PubChem (CID 135373615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).