2-[4-[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-2-methoxyphenoxy]acetate

C22H19O6- — CID 8882805

IUPAC2-[4-[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-2-methoxyphenoxy]acetate
SMILESCCc1oc2ccccc2c1/C=C/C(=O)c1ccc(OCC(=O)[O-])c(OC)c1
InChIInChI=1S/C22H20O6/c1-3-18-16(15-6-4-5-7-19(15)28-18)9-10-17(23)14-8-11-20(21(12-14)26-2)27-13-22(24)25/h4-12H,3,13H2,1-2H3,(H,24,25)/p-1/b10-9+
InChIKeyUTOPUGIIPVCGBM-MDZDMXLPSA-M
MW379.39 g/mol
LogP3.03
Rot. Bonds8

About 2-[4-[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-2-methoxyphenoxy]acetate

2-[4-[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-2-methoxyphenoxy]acetate (PubChem CID 8882805) has the molecular formula C22H19O6- and a molecular weight of 379.39 g/mol. Its IUPAC name is 2-[4-[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-2-methoxyphenoxy]acetate.

Molecular Properties

Compound Name2-[4-[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-2-methoxyphenoxy]acetate
PubChem CID8882805
Molecular FormulaC22H19O6-
Molecular Weight379.39 g/mol
Exact Mass379.12
IUPAC Name2-[4-[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-2-methoxyphenoxy]acetate
SMILESCCc1oc2ccccc2c1/C=C/C(=O)c1ccc(OCC(=O)[O-])c(OC)c1
InChIInChI=1S/C22H20O6/c1-3-18-16(15-6-4-5-7-19(15)28-18)9-10-17(23)14-8-11-20(21(12-14)26-2)27-13-22(24)25/h4-12H,3,13H2,1-2H3,(H,24,25)/p-1/b10-9+
InChIKeyUTOPUGIIPVCGBM-MDZDMXLPSA-M
XLogP3.03
TPSA88.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]-2-methoxyphenoxy]acetate
CID 9448682
2-[4-[(E)-3-(4-bromophenyl)prop-2-enoyl]-2-methoxyphenoxy]acetate
CID 9448678
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(2-methoxyphenyl)prop-2-enamide
CID 26687668
(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide
CID 47120041
2-[2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]acetate
CID 8856878
2-[4-[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]-2-methoxyphenoxy]acetate
CID 7973436
2-[2-methoxy-4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenoxy]acetic acid
CID 9448707
(E)-1-(3,4-dimethoxyphenyl)-3-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]prop-2-en-1-one
CID 19561030
methyl N-[4-[[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]amino]phenyl]carbamate
CID 55804926
methyl 2-[4-(2-ethyl-1-benzofuran-3-carbonyl)-2-methylphenoxy]acetate
CID 139697202
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-propylprop-2-enamide
CID 46532048
(Z)-1-(3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one
CID 92997690

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-2-methoxyphenoxy]acetate?
The IUPAC name of 2-[4-[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-2-methoxyphenoxy]acetate (CID 8882805) is 2-[4-[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-2-methoxyphenoxy]acetate.
What is the SMILES notation for 2-[4-[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-2-methoxyphenoxy]acetate?
The canonical SMILES for 2-[4-[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-2-methoxyphenoxy]acetate is CCc1oc2ccccc2c1/C=C/C(=O)c1ccc(OCC(=O)[O-])c(OC)c1.
What is the InChIKey of 2-[4-[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-2-methoxyphenoxy]acetate?
The InChIKey is UTOPUGIIPVCGBM-MDZDMXLPSA-M. The full InChI is InChI=1S/C22H20O6/c1-3-18-16(15-6-4-5-7-19(15)28-18)9-10-17(23)14-8-11-20(21(12-14)26-2)27-13-22(24)25/h4-12H,3,13H2,1-2H3,(H,24,25)/p-1/b10-9+.
What are the key properties of 2-[4-[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-2-methoxyphenoxy]acetate?
2-[4-[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-2-methoxyphenoxy]acetate has a molecular weight of 379.39 g/mol, XLogP of 3.03, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-2-methoxyphenoxy]acetate is sourced from PubChem (CID 8882805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).