(2-methoxyphenyl) 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate

C19H18O4 — CID 8778381

IUPAC(2-methoxyphenyl) 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
SMILESCOc1ccccc1OC(=O)Cc1coc2c(C)c(C)ccc12
InChIInChI=1S/C19H18O4/c1-12-8-9-15-14(11-22-19(15)13(12)2)10-18(20)23-17-7-5-4-6-16(17)21-3/h4-9,11H,10H2,1-3H3
InChIKeyBZYTWNCFTOPIGO-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.21
Rot. Bonds4

About (2-methoxyphenyl) 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate

(2-methoxyphenyl) 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate (PubChem CID 8778381) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is (2-methoxyphenyl) 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name(2-methoxyphenyl) 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
PubChem CID8778381
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name(2-methoxyphenyl) 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
SMILESCOc1ccccc1OC(=O)Cc1coc2c(C)c(C)ccc12
InChIInChI=1S/C19H18O4/c1-12-8-9-15-14(11-22-19(15)13(12)2)10-18(20)23-17-7-5-4-6-16(17)21-3/h4-9,11H,10H2,1-3H3
InChIKeyBZYTWNCFTOPIGO-UHFFFAOYSA-N
XLogP4.21
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 7617669
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 25387946
methyl (2R)-2-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]propanoate
CID 40918319
ethyl 2-(7-methoxy-1-benzofuran-3-yl)acetate
CID 22734085
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 8955343
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 7617933
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 7617689
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 1285216
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 7617953
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 7617694
[(2S)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 8984198
N-[(2,4-dimethoxyphenyl)methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methylacetamide
CID 27774295

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate?
The IUPAC name of (2-methoxyphenyl) 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate (CID 8778381) is (2-methoxyphenyl) 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate.
What is the SMILES notation for (2-methoxyphenyl) 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate?
The canonical SMILES for (2-methoxyphenyl) 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate is COc1ccccc1OC(=O)Cc1coc2c(C)c(C)ccc12.
What is the InChIKey of (2-methoxyphenyl) 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate?
The InChIKey is BZYTWNCFTOPIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-12-8-9-15-14(11-22-19(15)13(12)2)10-18(20)23-17-7-5-4-6-16(17)21-3/h4-9,11H,10H2,1-3H3.
What are the key properties of (2-methoxyphenyl) 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate?
(2-methoxyphenyl) 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate has a molecular weight of 310.35 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 8778381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).