methyl 2-(4-fluorophenyl)-7-methyl-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxylate

C19H15FO4 — CID 68735912

IUPACmethyl 2-(4-fluorophenyl)-7-methyl-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxylate
SMILESCOC(=O)c1c(-c2ccc(F)cc2)oc2ccc3c(c12)CC(C)O3
InChIInChI=1S/C19H15FO4/c1-10-9-13-14(23-10)7-8-15-16(13)17(19(21)22-2)18(24-15)11-3-5-12(20)6-4-11/h3-8,10H,9H2,1-2H3
InChIKeyIKGXPOBTQUEEIM-UHFFFAOYSA-N
MW326.32 g/mol
LogP4.35
Rot. Bonds2

About methyl 2-(4-fluorophenyl)-7-methyl-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxylate

methyl 2-(4-fluorophenyl)-7-methyl-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxylate (PubChem CID 68735912) has the molecular formula C19H15FO4 and a molecular weight of 326.32 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-7-methyl-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-7-methyl-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxylate
PubChem CID68735912
Molecular FormulaC19H15FO4
Molecular Weight326.32 g/mol
Exact Mass326.10
IUPAC Namemethyl 2-(4-fluorophenyl)-7-methyl-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxylate
SMILESCOC(=O)c1c(-c2ccc(F)cc2)oc2ccc3c(c12)CC(C)O3
InChIInChI=1S/C19H15FO4/c1-10-9-13-14(23-10)7-8-15-16(13)17(19(21)22-2)18(24-15)11-3-5-12(20)6-4-11/h3-8,10H,9H2,1-2H3
InChIKeyIKGXPOBTQUEEIM-UHFFFAOYSA-N
XLogP4.35
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-7-methyl-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)-7-methyl-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxylate (CID 68735912) is methyl 2-(4-fluorophenyl)-7-methyl-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-7-methyl-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-7-methyl-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxylate is COC(=O)c1c(-c2ccc(F)cc2)oc2ccc3c(c12)CC(C)O3.
What is the InChIKey of methyl 2-(4-fluorophenyl)-7-methyl-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxylate?
The InChIKey is IKGXPOBTQUEEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FO4/c1-10-9-13-14(23-10)7-8-15-16(13)17(19(21)22-2)18(24-15)11-3-5-12(20)6-4-11/h3-8,10H,9H2,1-2H3.
What are the key properties of methyl 2-(4-fluorophenyl)-7-methyl-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxylate?
methyl 2-(4-fluorophenyl)-7-methyl-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxylate has a molecular weight of 326.32 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)-7-methyl-7,8-dihydrofuro[3,2-e][1]benzofuran-1-carboxylate is sourced from PubChem (CID 68735912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).