methyl 3-[2-(3-methoxyphenyl)-1-benzofuran-5-yl]propanoate

C19H18O4 — CID 23083078

IUPACmethyl 3-[2-(3-methoxyphenyl)-1-benzofuran-5-yl]propanoate
SMILESCOC(=O)CCc1ccc2oc(-c3cccc(OC)c3)cc2c1
InChIInChI=1S/C19H18O4/c1-21-16-5-3-4-14(11-16)18-12-15-10-13(6-8-17(15)23-18)7-9-19(20)22-2/h3-6,8,10-12H,7,9H2,1-2H3
InChIKeyVEGBUWFMSLSVNB-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.21
Rot. Bonds5

About methyl 3-[2-(3-methoxyphenyl)-1-benzofuran-5-yl]propanoate

methyl 3-[2-(3-methoxyphenyl)-1-benzofuran-5-yl]propanoate (PubChem CID 23083078) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is methyl 3-[2-(3-methoxyphenyl)-1-benzofuran-5-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(3-methoxyphenyl)-1-benzofuran-5-yl]propanoate
PubChem CID23083078
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Namemethyl 3-[2-(3-methoxyphenyl)-1-benzofuran-5-yl]propanoate
SMILESCOC(=O)CCc1ccc2oc(-c3cccc(OC)c3)cc2c1
InChIInChI=1S/C19H18O4/c1-21-16-5-3-4-14(11-16)18-12-15-10-13(6-8-17(15)23-18)7-9-19(20)22-2/h3-6,8,10-12H,7,9H2,1-2H3
InChIKeyVEGBUWFMSLSVNB-UHFFFAOYSA-N
XLogP4.21
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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

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Related Compounds

(2S)-1-[[2-(3-methoxyphenyl)-1-benzofuran-5-yl]methyl]pyrrolidine-2-carboxamide
CID 171775448
N'-[2-(3-methoxyphenyl)-1-benzofuran-5-yl]ethanimidamide
CID 68543851
2-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]ethanol
CID 24946507
methyl 3-(3,4-diaminophenyl)propanoate
CID 122514005
methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]propanoate
CID 108901083
2-[5-(2-hydroxyethyl)-1-benzofuran-2-yl]-5-methoxyphenol
CID 141202465
methyl 3-[4-(4-phenylphenyl)phenyl]propanoate
CID 69206363
(4-methylphenyl) 3-(3-methoxyphenyl)propanoate
CID 78829897
propan-2-yl 3-(3-methoxyphenyl)propanoate
CID 14043098
5-methoxy-2-(4-nitrophenyl)-1-benzofuran
CID 11680584
methyl 13-(3-methoxyphenyl)-4,11-dioxotrideca-5,7,9-trienoate
CID 173413536
methyl 2-amino-3-[5-(3-methoxyphenyl)furan-2-yl]propanoate
CID 170884284

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(3-methoxyphenyl)-1-benzofuran-5-yl]propanoate?
The IUPAC name of methyl 3-[2-(3-methoxyphenyl)-1-benzofuran-5-yl]propanoate (CID 23083078) is methyl 3-[2-(3-methoxyphenyl)-1-benzofuran-5-yl]propanoate.
What is the SMILES notation for methyl 3-[2-(3-methoxyphenyl)-1-benzofuran-5-yl]propanoate?
The canonical SMILES for methyl 3-[2-(3-methoxyphenyl)-1-benzofuran-5-yl]propanoate is COC(=O)CCc1ccc2oc(-c3cccc(OC)c3)cc2c1.
What is the InChIKey of methyl 3-[2-(3-methoxyphenyl)-1-benzofuran-5-yl]propanoate?
The InChIKey is VEGBUWFMSLSVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-21-16-5-3-4-14(11-16)18-12-15-10-13(6-8-17(15)23-18)7-9-19(20)22-2/h3-6,8,10-12H,7,9H2,1-2H3.
What are the key properties of methyl 3-[2-(3-methoxyphenyl)-1-benzofuran-5-yl]propanoate?
methyl 3-[2-(3-methoxyphenyl)-1-benzofuran-5-yl]propanoate has a molecular weight of 310.35 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(3-methoxyphenyl)-1-benzofuran-5-yl]propanoate is sourced from PubChem (CID 23083078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).