(2,5-dimethylphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate

C20H20O4 — CID 7902091

IUPAC(2,5-dimethylphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCOc1ccc2c(CC(=O)OCc3cc(C)ccc3C)coc2c1
InChIInChI=1S/C20H20O4/c1-13-4-5-14(2)15(8-13)11-24-20(21)9-16-12-23-19-10-17(22-3)6-7-18(16)19/h4-8,10,12H,9,11H2,1-3H3
InChIKeyKVXZITXMTHAYOE-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.34
Rot. Bonds5

About (2,5-dimethylphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate

(2,5-dimethylphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate (PubChem CID 7902091) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2,5-dimethylphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name(2,5-dimethylphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
PubChem CID7902091
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name(2,5-dimethylphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCOc1ccc2c(CC(=O)OCc3cc(C)ccc3C)coc2c1
InChIInChI=1S/C20H20O4/c1-13-4-5-14(2)15(8-13)11-24-20(21)9-16-12-23-19-10-17(22-3)6-7-18(16)19/h4-8,10,12H,9,11H2,1-3H3
InChIKeyKVXZITXMTHAYOE-UHFFFAOYSA-N
XLogP4.34
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 8961126
2-oxopropyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 55327046
(7-methoxy-2-oxochromen-4-yl)methyl 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 7617757
methyl 2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]oxymethyl]furan-3-carboxylate
CID 24626688
[2-(4-methoxyanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525277
(5-acetyl-2-ethoxyphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 9168101
N'-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]-4-methylbenzohydrazide
CID 2492500
(3-cyanophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7901957
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2538727
[2-(tert-butylamino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2538621
methyl 4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate
CID 2418998
(4-propoxyphenyl) 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 55339227

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The IUPAC name of (2,5-dimethylphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate (CID 7902091) is (2,5-dimethylphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate.
What is the SMILES notation for (2,5-dimethylphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The canonical SMILES for (2,5-dimethylphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate is COc1ccc2c(CC(=O)OCc3cc(C)ccc3C)coc2c1.
What is the InChIKey of (2,5-dimethylphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The InChIKey is KVXZITXMTHAYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c1-13-4-5-14(2)15(8-13)11-24-20(21)9-16-12-23-19-10-17(22-3)6-7-18(16)19/h4-8,10,12H,9,11H2,1-3H3.
What are the key properties of (2,5-dimethylphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate?
(2,5-dimethylphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate has a molecular weight of 324.38 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 7902091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).