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

C14H18O4 — CID 77075114

IUPACmethyl 4-[3-(methoxymethyl)phenoxy]-2-methylbut-2-enoate
SMILESCOCc1cccc(OCC=C(C)C(=O)OC)c1
InChIInChI=1S/C14H18O4/c1-11(14(15)17-3)7-8-18-13-6-4-5-12(9-13)10-16-2/h4-7,9H,8,10H2,1-3H3
InChIKeyPUEMNCUYUJVNOA-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.33
Rot. Bonds6

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

methyl 4-[3-(methoxymethyl)phenoxy]-2-methylbut-2-enoate (PubChem CID 77075114) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is methyl 4-[3-(methoxymethyl)phenoxy]-2-methylbut-2-enoate.

Molecular Properties

Compound Namemethyl 4-[3-(methoxymethyl)phenoxy]-2-methylbut-2-enoate
PubChem CID77075114
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Namemethyl 4-[3-(methoxymethyl)phenoxy]-2-methylbut-2-enoate
SMILESCOCc1cccc(OCC=C(C)C(=O)OC)c1
InChIInChI=1S/C14H18O4/c1-11(14(15)17-3)7-8-18-13-6-4-5-12(9-13)10-16-2/h4-7,9H,8,10H2,1-3H3
InChIKeyPUEMNCUYUJVNOA-UHFFFAOYSA-N
XLogP2.33
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.33
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 2-ethyl-4-[3-(methoxymethyl)phenoxy]but-2-enoate
CID 77101360
methyl 4-(3-iodophenoxy)-2-methylbut-2-enoate
CID 77074437
1-[3-(methoxymethyl)phenoxy]-3,3-dimethylbutan-2-one
CID 63986983
1-(methoxymethoxy)-3-(methoxymethyl)benzene
CID 138736318
methyl 2-methyl-4-(4-methylsulfanylphenoxy)but-2-enoate
CID 77074671
(E)-4-(3-methoxyphenoxy)-2-methylbut-2-enoyl chloride
CID 125476170
4-[(3-methoxyphenyl)methoxy]-2-methylbut-2-enoic acid
CID 77075874
methyl (E)-4-[4-(3-hydroxypropyl)phenoxy]-2-methylbut-2-enoate
CID 102283618
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
2-methoxy-N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 63056746
3-[3-(methoxymethyl)phenoxy]-2,2-dimethylpropanehydrazide
CID 79627840
(3-methoxyphenyl)methyl (Z)-2-methylbut-2-enoate
CID 91698333

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(methoxymethyl)phenoxy]-2-methylbut-2-enoate?
The IUPAC name of methyl 4-[3-(methoxymethyl)phenoxy]-2-methylbut-2-enoate (CID 77075114) is methyl 4-[3-(methoxymethyl)phenoxy]-2-methylbut-2-enoate.
What is the SMILES notation for methyl 4-[3-(methoxymethyl)phenoxy]-2-methylbut-2-enoate?
The canonical SMILES for methyl 4-[3-(methoxymethyl)phenoxy]-2-methylbut-2-enoate is COCc1cccc(OCC=C(C)C(=O)OC)c1.
What is the InChIKey of methyl 4-[3-(methoxymethyl)phenoxy]-2-methylbut-2-enoate?
The InChIKey is PUEMNCUYUJVNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-11(14(15)17-3)7-8-18-13-6-4-5-12(9-13)10-16-2/h4-7,9H,8,10H2,1-3H3.
What are the key properties of methyl 4-[3-(methoxymethyl)phenoxy]-2-methylbut-2-enoate?
methyl 4-[3-(methoxymethyl)phenoxy]-2-methylbut-2-enoate has a molecular weight of 250.29 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(methoxymethyl)phenoxy]-2-methylbut-2-enoate is sourced from PubChem (CID 77075114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).