[4-(4-fluorobenzoyl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate

C24H17FO5 — CID 2713459

IUPAC[4-(4-fluorobenzoyl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCOc1ccc2c(CC(=O)Oc3ccc(C(=O)c4ccc(F)cc4)cc3)coc2c1
InChIInChI=1S/C24H17FO5/c1-28-20-10-11-21-17(14-29-22(21)13-20)12-23(26)30-19-8-4-16(5-9-19)24(27)15-2-6-18(25)7-3-15/h2-11,13-14H,12H2,1H3
InChIKeyLWLLBCYDRCTEKI-UHFFFAOYSA-N
MW404.39 g/mol
LogP4.96
Rot. Bonds6

About [4-(4-fluorobenzoyl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate

[4-(4-fluorobenzoyl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate (PubChem CID 2713459) has the molecular formula C24H17FO5 and a molecular weight of 404.39 g/mol. Its IUPAC name is [4-(4-fluorobenzoyl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name[4-(4-fluorobenzoyl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
PubChem CID2713459
Molecular FormulaC24H17FO5
Molecular Weight404.39 g/mol
Exact Mass404.11
IUPAC Name[4-(4-fluorobenzoyl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCOc1ccc2c(CC(=O)Oc3ccc(C(=O)c4ccc(F)cc4)cc3)coc2c1
InChIInChI=1S/C24H17FO5/c1-28-20-10-11-21-17(14-29-22(21)13-20)12-23(26)30-19-8-4-16(5-9-19)24(27)15-2-6-18(25)7-3-15/h2-11,13-14H,12H2,1H3
InChIKeyLWLLBCYDRCTEKI-UHFFFAOYSA-N
XLogP4.96
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-cyanophenyl) 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7741382
(4-propoxyphenyl) 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 55339227
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2664215
(4-ethyl-2-oxochromen-7-yl) 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7925896
[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7925425
2-oxopropyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 55327046
(4-fluorophenyl) 2-(5-ethyl-1-benzofuran-3-yl)acetate
CID 18860513
[4-[(2-chlorobenzoyl)amino]phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 26686582
(4-methoxyphenyl) 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate
CID 18277245
benzyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 8961126
(2,5-dimethylphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7902091
N-[1-(2,4-difluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 51150333

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorobenzoyl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The IUPAC name of [4-(4-fluorobenzoyl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate (CID 2713459) is [4-(4-fluorobenzoyl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate.
What is the SMILES notation for [4-(4-fluorobenzoyl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The canonical SMILES for [4-(4-fluorobenzoyl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate is COc1ccc2c(CC(=O)Oc3ccc(C(=O)c4ccc(F)cc4)cc3)coc2c1.
What is the InChIKey of [4-(4-fluorobenzoyl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The InChIKey is LWLLBCYDRCTEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FO5/c1-28-20-10-11-21-17(14-29-22(21)13-20)12-23(26)30-19-8-4-16(5-9-19)24(27)15-2-6-18(25)7-3-15/h2-11,13-14H,12H2,1H3.
What are the key properties of [4-(4-fluorobenzoyl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
[4-(4-fluorobenzoyl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate has a molecular weight of 404.39 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorobenzoyl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 2713459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).