methyl (E)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate

C14H16O6 — CID 16764845

IUPACmethyl (E)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc(OCC(=O)OC)c(OC)c1
InChIInChI=1S/C14H16O6/c1-17-12-8-10(5-7-13(15)18-2)4-6-11(12)20-9-14(16)19-3/h4-8H,9H2,1-3H3/b7-5+
InChIKeyMOFNREXIRFMPCX-FNORWQNLSA-N
MW280.28 g/mol
LogP1.43
Rot. Bonds6

About methyl (E)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate

methyl (E)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate (PubChem CID 16764845) has the molecular formula C14H16O6 and a molecular weight of 280.28 g/mol. Its IUPAC name is methyl (E)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate
PubChem CID16764845
Molecular FormulaC14H16O6
Molecular Weight280.28 g/mol
Exact Mass280.09
IUPAC Namemethyl (E)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc(OCC(=O)OC)c(OC)c1
InChIInChI=1S/C14H16O6/c1-17-12-8-10(5-7-13(15)18-2)4-6-11(12)20-9-14(16)19-3/h4-8H,9H2,1-3H3/b7-5+
InChIKeyMOFNREXIRFMPCX-FNORWQNLSA-N
XLogP1.43
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.43
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

ethyl (Z)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate
CID 92908749
methyl 2-[4-[(1E,3Z,6E)-3-hydroxy-7-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]-5-oxohepta-1,3,6-trienyl]-2-methoxyphenoxy]acetate
CID 10414053
methyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 882523
methyl (E)-3-[3-methoxy-4-[2-(2-methoxy-4-prop-2-enylphenoxy)-2-oxoethoxy]phenyl]prop-2-enoate
CID 162516171
methyl 2-(4-ethenyl-2-methoxyphenoxy)acetate
CID 167145651
methyl (E)-3-[4-(2-acetamidoethoxy)-3-methoxyphenyl]prop-2-enoate
CID 97034323
methyl (E)-3-[4-(4-bromobutoxy)-3-methoxyphenyl]prop-2-enoate
CID 168878232
methyl (E)-3-[3-methoxy-4-[2-(2-methylpropylcarbamoylamino)-2-oxoethoxy]phenyl]prop-2-enoate
CID 36925807
2-[4-[(E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetic acid
CID 8859274
1,7-bis(3,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 53393977
(2-amino-2-oxoethyl) (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 6163287
methyl (E)-3-[4-[(5-chlorothiophen-2-yl)methoxy]-3-methoxyphenyl]prop-2-enoate
CID 30597416

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate (CID 16764845) is methyl (E)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate is COC(=O)/C=C/c1ccc(OCC(=O)OC)c(OC)c1.
What is the InChIKey of methyl (E)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate?
The InChIKey is MOFNREXIRFMPCX-FNORWQNLSA-N. The full InChI is InChI=1S/C14H16O6/c1-17-12-8-10(5-7-13(15)18-2)4-6-11(12)20-9-14(16)19-3/h4-8H,9H2,1-3H3/b7-5+.
What are the key properties of methyl (E)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate?
methyl (E)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate has a molecular weight of 280.28 g/mol, XLogP of 1.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate is sourced from PubChem (CID 16764845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).