methyl 2-ethyl-4-[3-(methoxymethyl)phenoxy]but-2-enoate

C15H20O4 — CID 77101360

IUPACmethyl 2-ethyl-4-[3-(methoxymethyl)phenoxy]but-2-enoate
SMILESCCC(=CCOc1cccc(COC)c1)C(=O)OC
InChIInChI=1S/C15H20O4/c1-4-13(15(16)18-3)8-9-19-14-7-5-6-12(10-14)11-17-2/h5-8,10H,4,9,11H2,1-3H3
InChIKeyMCOFNLQFXPTBNZ-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.72
Rot. Bonds7

About methyl 2-ethyl-4-[3-(methoxymethyl)phenoxy]but-2-enoate

methyl 2-ethyl-4-[3-(methoxymethyl)phenoxy]but-2-enoate (PubChem CID 77101360) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 2-ethyl-4-[3-(methoxymethyl)phenoxy]but-2-enoate.

Molecular Properties

Compound Namemethyl 2-ethyl-4-[3-(methoxymethyl)phenoxy]but-2-enoate
PubChem CID77101360
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Namemethyl 2-ethyl-4-[3-(methoxymethyl)phenoxy]but-2-enoate
SMILESCCC(=CCOc1cccc(COC)c1)C(=O)OC
InChIInChI=1S/C15H20O4/c1-4-13(15(16)18-3)8-9-19-14-7-5-6-12(10-14)11-17-2/h5-8,10H,4,9,11H2,1-3H3
InChIKeyMCOFNLQFXPTBNZ-UHFFFAOYSA-N
XLogP2.72
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[3-(methoxymethyl)phenoxy]-2-methylbut-2-enoate
CID 77075114
methyl (Z)-4-(4-bromo-3-methylphenoxy)-2-ethylbut-2-enoate
CID 83133070
1-[3-(methoxymethyl)phenoxy]-3,3-dimethylbutan-2-one
CID 63986983
methyl (Z)-2-ethyl-4-(pyridin-3-ylmethoxy)but-2-enoate
CID 83214559
2-ethyl-4-(3-methylphenoxy)but-2-enoic acid
CID 77100463
methyl 4-(2,3-difluorophenoxy)-2-ethylbut-2-enoate
CID 77102358
methyl 4-[(5-chloro-3-pyridinyl)oxy]-2-ethylbut-2-enoate
CID 77101807
1-(methoxymethoxy)-3-(methoxymethyl)benzene
CID 138736318
methyl (Z)-2-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]but-2-enoate
CID 114939880
2-(ethylamino)-3-[3-(methoxymethyl)phenoxy]propan-1-ol
CID 64811194
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
5-[3-(methoxymethyl)phenoxy]-2,2-dimethylpentanoic acid
CID 65260124

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-4-[3-(methoxymethyl)phenoxy]but-2-enoate?
The IUPAC name of methyl 2-ethyl-4-[3-(methoxymethyl)phenoxy]but-2-enoate (CID 77101360) is methyl 2-ethyl-4-[3-(methoxymethyl)phenoxy]but-2-enoate.
What is the SMILES notation for methyl 2-ethyl-4-[3-(methoxymethyl)phenoxy]but-2-enoate?
The canonical SMILES for methyl 2-ethyl-4-[3-(methoxymethyl)phenoxy]but-2-enoate is CCC(=CCOc1cccc(COC)c1)C(=O)OC.
What is the InChIKey of methyl 2-ethyl-4-[3-(methoxymethyl)phenoxy]but-2-enoate?
The InChIKey is MCOFNLQFXPTBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-4-13(15(16)18-3)8-9-19-14-7-5-6-12(10-14)11-17-2/h5-8,10H,4,9,11H2,1-3H3.
What are the key properties of methyl 2-ethyl-4-[3-(methoxymethyl)phenoxy]but-2-enoate?
methyl 2-ethyl-4-[3-(methoxymethyl)phenoxy]but-2-enoate has a molecular weight of 264.32 g/mol, XLogP of 2.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-4-[3-(methoxymethyl)phenoxy]but-2-enoate is sourced from PubChem (CID 77101360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).