(4-propoxyphenyl) 2-(6-methoxy-1-benzofuran-3-yl)acetate

C20H20O5 — CID 55339227

IUPAC(4-propoxyphenyl) 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCCCOc1ccc(OC(=O)Cc2coc3cc(OC)ccc23)cc1
InChIInChI=1S/C20H20O5/c1-3-10-23-15-4-6-16(7-5-15)25-20(21)11-14-13-24-19-12-17(22-2)8-9-18(14)19/h4-9,12-13H,3,10-11H2,1-2H3
InChIKeyYRRQFTIKSRBWQK-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.38
Rot. Bonds7

About (4-propoxyphenyl) 2-(6-methoxy-1-benzofuran-3-yl)acetate

(4-propoxyphenyl) 2-(6-methoxy-1-benzofuran-3-yl)acetate (PubChem CID 55339227) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is (4-propoxyphenyl) 2-(6-methoxy-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name(4-propoxyphenyl) 2-(6-methoxy-1-benzofuran-3-yl)acetate
PubChem CID55339227
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Name(4-propoxyphenyl) 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCCCOc1ccc(OC(=O)Cc2coc3cc(OC)ccc23)cc1
InChIInChI=1S/C20H20O5/c1-3-10-23-15-4-6-16(7-5-15)25-20(21)11-14-13-24-19-12-17(22-2)8-9-18(14)19/h4-9,12-13H,3,10-11H2,1-2H3
InChIKeyYRRQFTIKSRBWQK-UHFFFAOYSA-N
XLogP4.38
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.38
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-ethyl-2-oxochromen-7-yl) 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7925896
[4-(4-fluorobenzoyl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2713459
[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-[(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
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7901969
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyethyl)acetamide
CID 29290752
2-(6-methoxy-1-benzofuran-3-yl)-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethanone
CID 9467205

Frequently Asked Questions

What is the IUPAC name of (4-propoxyphenyl) 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The IUPAC name of (4-propoxyphenyl) 2-(6-methoxy-1-benzofuran-3-yl)acetate (CID 55339227) is (4-propoxyphenyl) 2-(6-methoxy-1-benzofuran-3-yl)acetate.
What is the SMILES notation for (4-propoxyphenyl) 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The canonical SMILES for (4-propoxyphenyl) 2-(6-methoxy-1-benzofuran-3-yl)acetate is CCCOc1ccc(OC(=O)Cc2coc3cc(OC)ccc23)cc1.
What is the InChIKey of (4-propoxyphenyl) 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The InChIKey is YRRQFTIKSRBWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O5/c1-3-10-23-15-4-6-16(7-5-15)25-20(21)11-14-13-24-19-12-17(22-2)8-9-18(14)19/h4-9,12-13H,3,10-11H2,1-2H3.
What are the key properties of (4-propoxyphenyl) 2-(6-methoxy-1-benzofuran-3-yl)acetate?
(4-propoxyphenyl) 2-(6-methoxy-1-benzofuran-3-yl)acetate has a molecular weight of 340.38 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propoxyphenyl) 2-(6-methoxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 55339227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).