methyl (E)-3-[2,5-bis(methoxymethoxy)phenyl]-3-phenylprop-2-enoate

C20H22O6 — CID 146188956

IUPACmethyl (E)-3-[2,5-bis(methoxymethoxy)phenyl]-3-phenylprop-2-enoate
SMILESCOCOc1ccc(OCOC)c(/C(=C/C(=O)OC)c2ccccc2)c1
InChIInChI=1S/C20H22O6/c1-22-13-25-16-9-10-19(26-14-23-2)18(11-16)17(12-20(21)24-3)15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3/b17-12+
InChIKeySYROWVIIZIAXIS-SFQUDFHCSA-N
MW358.39 g/mol
LogP3.26
Rot. Bonds9

About methyl (E)-3-[2,5-bis(methoxymethoxy)phenyl]-3-phenylprop-2-enoate

methyl (E)-3-[2,5-bis(methoxymethoxy)phenyl]-3-phenylprop-2-enoate (PubChem CID 146188956) has the molecular formula C20H22O6 and a molecular weight of 358.39 g/mol. Its IUPAC name is methyl (E)-3-[2,5-bis(methoxymethoxy)phenyl]-3-phenylprop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[2,5-bis(methoxymethoxy)phenyl]-3-phenylprop-2-enoate
PubChem CID146188956
Molecular FormulaC20H22O6
Molecular Weight358.39 g/mol
Exact Mass358.14
IUPAC Namemethyl (E)-3-[2,5-bis(methoxymethoxy)phenyl]-3-phenylprop-2-enoate
SMILESCOCOc1ccc(OCOC)c(/C(=C/C(=O)OC)c2ccccc2)c1
InChIInChI=1S/C20H22O6/c1-22-13-25-16-9-10-19(26-14-23-2)18(11-16)17(12-20(21)24-3)15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3/b17-12+
InChIKeySYROWVIIZIAXIS-SFQUDFHCSA-N
XLogP3.26
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-chlorophenyl)-3-[2-(methoxymethoxy)-5-methylphenyl]prop-2-enoic acid
CID 146175405
[[2,5-bis(methoxymethoxy)phenyl]-methoxymethylidene]chromium;carbon monoxide
CID 14327199
1-[(E)-2-bromo-1-phenylethenyl]-2-(methoxymethoxy)benzene
CID 146189075
1-[4-(methoxymethoxy)phenyl]ethanone;1-phenylethanone
CID 54405970
2-diazo-1-[2-(methoxymethoxy)-5-phenoxyphenyl]ethanone
CID 85281521
dimethyl (E)-2-[3-(methoxymethoxy)anilino]but-2-enedioate
CID 168569235
dimethyl (E)-2-[2-(methoxymethoxy)anilino]but-2-enedioate
CID 168570585
1,4-dimethoxy-2-[(Z)-1-phenylprop-1-enyl]benzene
CID 102082357
1,4-dimethoxy-2-[(E)-1-phenylprop-1-enyl]benzene
CID 102370228
[5-(methoxymethoxy)-2-(2-phenylacetyl)phenyl] benzoate
CID 21410801
(4-hydroxyphenyl)-[5-methoxy-2-(methoxymethoxy)phenyl]methanone
CID 68911946
ethane;(E)-1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-phenylprop-2-en-1-one
CID 163381454

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[2,5-bis(methoxymethoxy)phenyl]-3-phenylprop-2-enoate?
The IUPAC name of methyl (E)-3-[2,5-bis(methoxymethoxy)phenyl]-3-phenylprop-2-enoate (CID 146188956) is methyl (E)-3-[2,5-bis(methoxymethoxy)phenyl]-3-phenylprop-2-enoate.
What is the SMILES notation for methyl (E)-3-[2,5-bis(methoxymethoxy)phenyl]-3-phenylprop-2-enoate?
The canonical SMILES for methyl (E)-3-[2,5-bis(methoxymethoxy)phenyl]-3-phenylprop-2-enoate is COCOc1ccc(OCOC)c(/C(=C/C(=O)OC)c2ccccc2)c1.
What is the InChIKey of methyl (E)-3-[2,5-bis(methoxymethoxy)phenyl]-3-phenylprop-2-enoate?
The InChIKey is SYROWVIIZIAXIS-SFQUDFHCSA-N. The full InChI is InChI=1S/C20H22O6/c1-22-13-25-16-9-10-19(26-14-23-2)18(11-16)17(12-20(21)24-3)15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3/b17-12+.
What are the key properties of methyl (E)-3-[2,5-bis(methoxymethoxy)phenyl]-3-phenylprop-2-enoate?
methyl (E)-3-[2,5-bis(methoxymethoxy)phenyl]-3-phenylprop-2-enoate has a molecular weight of 358.39 g/mol, XLogP of 3.26, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[2,5-bis(methoxymethoxy)phenyl]-3-phenylprop-2-enoate is sourced from PubChem (CID 146188956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).