2-[2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]acetate

C19H17O6- — CID 8856878

IUPAC2-[2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]acetate
SMILESCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)[O-])c(OC)c2)cc1
InChIInChI=1S/C19H18O6/c1-23-15-7-5-14(6-8-15)16(20)9-3-13-4-10-17(18(11-13)24-2)25-12-19(21)22/h3-11H,12H2,1-2H3,(H,21,22)/p-1/b9-3+
InChIKeyFNJCBIDSJKQBJO-YCRREMRBSA-M
MW341.34 g/mol
LogP1.73
Rot. Bonds8

About 2-[2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]acetate

2-[2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]acetate (PubChem CID 8856878) has the molecular formula C19H17O6- and a molecular weight of 341.34 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]acetate.

Molecular Properties

Compound Name2-[2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]acetate
PubChem CID8856878
Molecular FormulaC19H17O6-
Molecular Weight341.34 g/mol
Exact Mass341.10
IUPAC Name2-[2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]acetate
SMILESCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)[O-])c(OC)c2)cc1
InChIInChI=1S/C19H18O6/c1-23-15-7-5-14(6-8-15)16(20)9-3-13-4-10-17(18(11-13)24-2)25-12-19(21)22/h3-11H,12H2,1-2H3,(H,21,22)/p-1/b9-3+
InChIKeyFNJCBIDSJKQBJO-YCRREMRBSA-M
XLogP1.73
TPSA84.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 51.73
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-[2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]acetic acid
CID 8856879
2-[4-[(E)-3-(2,4-dimethoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetate
CID 8832808
2-[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]acetate
CID 7808888
2-[4-[(E)-3-(4-bromophenyl)prop-2-enoyl]-2-methoxyphenoxy]acetate
CID 9448678
2-[4-[(E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetic acid
CID 8859274
N-ethyl-2-[2-methoxy-4-[(E)-3-oxo-3-(4-propoxyphenyl)prop-1-enyl]phenoxy]acetamide
CID 18286661
[2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] 2,6-dimethoxybenzoate
CID 6124819
2-[2-methoxy-4-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)prop-1-enyl]phenoxy]acetic acid
CID 56971492
[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 6267532
N-ethyl-2-[4-[(E)-3-(4-hydroxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetamide
CID 7946232
2-[4-[(E)-3-[4-(difluoromethoxy)phenyl]-3-oxoprop-1-enyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 8859109
[2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] 3-methoxybenzoate
CID 6267354

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]acetate?
The IUPAC name of 2-[2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]acetate (CID 8856878) is 2-[2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]acetate.
What is the SMILES notation for 2-[2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]acetate?
The canonical SMILES for 2-[2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]acetate is COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)[O-])c(OC)c2)cc1.
What is the InChIKey of 2-[2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]acetate?
The InChIKey is FNJCBIDSJKQBJO-YCRREMRBSA-M. The full InChI is InChI=1S/C19H18O6/c1-23-15-7-5-14(6-8-15)16(20)9-3-13-4-10-17(18(11-13)24-2)25-12-19(21)22/h3-11H,12H2,1-2H3,(H,21,22)/p-1/b9-3+.
What are the key properties of 2-[2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]acetate?
2-[2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]acetate has a molecular weight of 341.34 g/mol, XLogP of 1.73, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]acetate is sourced from PubChem (CID 8856878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).