(2,6-dimethoxyphenyl) 2-(6-methyl-1-benzofuran-3-yl)acetate

C19H18O5 — CID 4816242

IUPAC(2,6-dimethoxyphenyl) 2-(6-methyl-1-benzofuran-3-yl)acetate
SMILESCOc1cccc(OC)c1OC(=O)Cc1coc2cc(C)ccc12
InChIInChI=1S/C19H18O5/c1-12-7-8-14-13(11-23-17(14)9-12)10-18(20)24-19-15(21-2)5-4-6-16(19)22-3/h4-9,11H,10H2,1-3H3
InChIKeyFAFKZGMKJQUPFJ-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.91
Rot. Bonds5

About (2,6-dimethoxyphenyl) 2-(6-methyl-1-benzofuran-3-yl)acetate

(2,6-dimethoxyphenyl) 2-(6-methyl-1-benzofuran-3-yl)acetate (PubChem CID 4816242) has the molecular formula C19H18O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl) 2-(6-methyl-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl) 2-(6-methyl-1-benzofuran-3-yl)acetate
PubChem CID4816242
Molecular FormulaC19H18O5
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Name(2,6-dimethoxyphenyl) 2-(6-methyl-1-benzofuran-3-yl)acetate
SMILESCOc1cccc(OC)c1OC(=O)Cc1coc2cc(C)ccc12
InChIInChI=1S/C19H18O5/c1-12-7-8-14-13(11-23-17(14)9-12)10-18(20)24-19-15(21-2)5-4-6-16(19)22-3/h4-9,11H,10H2,1-3H3
InChIKeyFAFKZGMKJQUPFJ-UHFFFAOYSA-N
XLogP3.91
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2,6-dimethoxyphenyl) 2-(6-methyl-1-benzofuran-3-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 2599354
(3-nitrophenyl) 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 4816211
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525198
(3-methyl-4-propan-2-ylphenyl) 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 7927183
methyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate
CID 8525344
N-(2-chloro-4,5-dimethoxyphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 17444398
(4-methylphenyl) 2-(5-methyl-1-benzofuran-3-yl)acetate
CID 18872439
[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 46795606
[2-(4-methoxyanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525277
3-(6-methyl-2-pyridinyl)propyl 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 86911953
(2,5-dimethylphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7902091
[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8737539

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl) 2-(6-methyl-1-benzofuran-3-yl)acetate?
The IUPAC name of (2,6-dimethoxyphenyl) 2-(6-methyl-1-benzofuran-3-yl)acetate (CID 4816242) is (2,6-dimethoxyphenyl) 2-(6-methyl-1-benzofuran-3-yl)acetate.
What is the SMILES notation for (2,6-dimethoxyphenyl) 2-(6-methyl-1-benzofuran-3-yl)acetate?
The canonical SMILES for (2,6-dimethoxyphenyl) 2-(6-methyl-1-benzofuran-3-yl)acetate is COc1cccc(OC)c1OC(=O)Cc1coc2cc(C)ccc12.
What is the InChIKey of (2,6-dimethoxyphenyl) 2-(6-methyl-1-benzofuran-3-yl)acetate?
The InChIKey is FAFKZGMKJQUPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O5/c1-12-7-8-14-13(11-23-17(14)9-12)10-18(20)24-19-15(21-2)5-4-6-16(19)22-3/h4-9,11H,10H2,1-3H3.
What are the key properties of (2,6-dimethoxyphenyl) 2-(6-methyl-1-benzofuran-3-yl)acetate?
(2,6-dimethoxyphenyl) 2-(6-methyl-1-benzofuran-3-yl)acetate has a molecular weight of 326.35 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl) 2-(6-methyl-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 4816242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).