ethyl 3-[2-(methoxymethoxy)-3-methylphenyl]-3-(2-methoxyphenyl)prop-2-enoate

C21H24O5 — CID 54221000

IUPACethyl 3-[2-(methoxymethoxy)-3-methylphenyl]-3-(2-methoxyphenyl)prop-2-enoate
SMILESCCOC(=O)C=C(c1ccccc1OC)c1cccc(C)c1OCOC
InChIInChI=1S/C21H24O5/c1-5-25-20(22)13-18(16-10-6-7-12-19(16)24-4)17-11-8-9-15(2)21(17)26-14-23-3/h6-13H,5,14H2,1-4H3
InChIKeyQCOUTLIPXYTRHN-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.98
Rot. Bonds8

About ethyl 3-[2-(methoxymethoxy)-3-methylphenyl]-3-(2-methoxyphenyl)prop-2-enoate

ethyl 3-[2-(methoxymethoxy)-3-methylphenyl]-3-(2-methoxyphenyl)prop-2-enoate (PubChem CID 54221000) has the molecular formula C21H24O5 and a molecular weight of 356.42 g/mol. Its IUPAC name is ethyl 3-[2-(methoxymethoxy)-3-methylphenyl]-3-(2-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[2-(methoxymethoxy)-3-methylphenyl]-3-(2-methoxyphenyl)prop-2-enoate
PubChem CID54221000
Molecular FormulaC21H24O5
Molecular Weight356.42 g/mol
Exact Mass356.16
IUPAC Nameethyl 3-[2-(methoxymethoxy)-3-methylphenyl]-3-(2-methoxyphenyl)prop-2-enoate
SMILESCCOC(=O)C=C(c1ccccc1OC)c1cccc(C)c1OCOC
InChIInChI=1S/C21H24O5/c1-5-25-20(22)13-18(16-10-6-7-12-19(16)24-4)17-11-8-9-15(2)21(17)26-14-23-3/h6-13H,5,14H2,1-4H3
InChIKeyQCOUTLIPXYTRHN-UHFFFAOYSA-N
XLogP3.98
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

ethyl (E)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enoate
CID 102309809
ethyl (Z)-3-[3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]prop-2-enoate
CID 10425877
ethyl (E)-3-[5-ethyl-3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]but-2-enoate
CID 10066966
ethyl (E)-3-[3-methoxy-4-(methoxymethoxy)-5-methylnaphthalen-1-yl]prop-2-enoate
CID 10019525
ethyl 3-chloro-3-(2-methylphenyl)prop-2-enoate
CID 86586403
ethyl (E)-3-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]prop-2-enoate
CID 14871149
ethyl 2-ethoxy-3-methoxybenzoate
CID 82186199
ethyl 3-naphthalen-1-yloxybut-2-enoate
CID 66894506
ethyl 2-(2-methoxy-3-methylphenyl)-2-oxoacetate
CID 117317826
ethyl (E)-3-(2-hydroxyphenyl)-3-phenylprop-2-enoate
CID 132574496
ethyl 3-(2,3-dimethylphenoxy)but-2-enoate
CID 66894790
ethyl 3,3-bis(1-methylindol-3-yl)prop-2-enoate
CID 102424290

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(methoxymethoxy)-3-methylphenyl]-3-(2-methoxyphenyl)prop-2-enoate?
The IUPAC name of ethyl 3-[2-(methoxymethoxy)-3-methylphenyl]-3-(2-methoxyphenyl)prop-2-enoate (CID 54221000) is ethyl 3-[2-(methoxymethoxy)-3-methylphenyl]-3-(2-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for ethyl 3-[2-(methoxymethoxy)-3-methylphenyl]-3-(2-methoxyphenyl)prop-2-enoate?
The canonical SMILES for ethyl 3-[2-(methoxymethoxy)-3-methylphenyl]-3-(2-methoxyphenyl)prop-2-enoate is CCOC(=O)C=C(c1ccccc1OC)c1cccc(C)c1OCOC.
What is the InChIKey of ethyl 3-[2-(methoxymethoxy)-3-methylphenyl]-3-(2-methoxyphenyl)prop-2-enoate?
The InChIKey is QCOUTLIPXYTRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O5/c1-5-25-20(22)13-18(16-10-6-7-12-19(16)24-4)17-11-8-9-15(2)21(17)26-14-23-3/h6-13H,5,14H2,1-4H3.
What are the key properties of ethyl 3-[2-(methoxymethoxy)-3-methylphenyl]-3-(2-methoxyphenyl)prop-2-enoate?
ethyl 3-[2-(methoxymethoxy)-3-methylphenyl]-3-(2-methoxyphenyl)prop-2-enoate has a molecular weight of 356.42 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(methoxymethoxy)-3-methylphenyl]-3-(2-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 54221000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).