methyl 4-(2,6-dimethoxy-4-methylphenoxy)-2-ethylbut-2-enoate

C16H22O5 — CID 77101024

IUPACmethyl 4-(2,6-dimethoxy-4-methylphenoxy)-2-ethylbut-2-enoate
SMILESCCC(=CCOc1c(OC)cc(C)cc1OC)C(=O)OC
InChIInChI=1S/C16H22O5/c1-6-12(16(17)20-5)7-8-21-15-13(18-3)9-11(2)10-14(15)19-4/h7,9-10H,6,8H2,1-5H3
InChIKeyQXBMSNTUIWHRDZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.90
Rot. Bonds7

About methyl 4-(2,6-dimethoxy-4-methylphenoxy)-2-ethylbut-2-enoate

methyl 4-(2,6-dimethoxy-4-methylphenoxy)-2-ethylbut-2-enoate (PubChem CID 77101024) has the molecular formula C16H22O5 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl 4-(2,6-dimethoxy-4-methylphenoxy)-2-ethylbut-2-enoate.

Molecular Properties

Compound Namemethyl 4-(2,6-dimethoxy-4-methylphenoxy)-2-ethylbut-2-enoate
PubChem CID77101024
Molecular FormulaC16H22O5
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Namemethyl 4-(2,6-dimethoxy-4-methylphenoxy)-2-ethylbut-2-enoate
SMILESCCC(=CCOc1c(OC)cc(C)cc1OC)C(=O)OC
InChIInChI=1S/C16H22O5/c1-6-12(16(17)20-5)7-8-21-15-13(18-3)9-11(2)10-14(15)19-4/h7,9-10H,6,8H2,1-5H3
InChIKeyQXBMSNTUIWHRDZ-UHFFFAOYSA-N
XLogP2.90
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(2,4-dimethylphenoxy)-2-ethylbut-2-enoate
CID 77100370
6-(2,6-dimethoxy-4-methylphenoxy)hexan-3-one
CID 106802063
methyl 4-(4-ethoxyphenoxy)-2-ethylbut-2-enoate
CID 77100339
methyl 4-(2,4-difluorophenoxy)-2-ethylbut-2-enoate
CID 77100526
methyl (Z)-4-(4-bromo-3-methylphenoxy)-2-ethylbut-2-enoate
CID 83133070
methyl 4-(4-chloro-3-methylphenoxy)-2-ethylbut-2-enoate
CID 77100597
methyl 4-(2-bromo-4-chlorophenoxy)-2-ethylbut-2-enoate
CID 77100505
methyl 4-(2,3-difluorophenoxy)-2-ethylbut-2-enoate
CID 77102358
methyl 4-[(5-chloro-3-pyridinyl)oxy]-2-ethylbut-2-enoate
CID 77101807
methyl 4-ethoxy-2-ethylbut-2-enoate
CID 77100412
methyl 4-(2,6-dibromo-4-methylanilino)-2-ethylbut-2-enoate
CID 103236809
methyl 4-(4-amino-2-methoxyphenyl)sulfanyl-2-ethylbut-2-enoate
CID 79829730

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,6-dimethoxy-4-methylphenoxy)-2-ethylbut-2-enoate?
The IUPAC name of methyl 4-(2,6-dimethoxy-4-methylphenoxy)-2-ethylbut-2-enoate (CID 77101024) is methyl 4-(2,6-dimethoxy-4-methylphenoxy)-2-ethylbut-2-enoate.
What is the SMILES notation for methyl 4-(2,6-dimethoxy-4-methylphenoxy)-2-ethylbut-2-enoate?
The canonical SMILES for methyl 4-(2,6-dimethoxy-4-methylphenoxy)-2-ethylbut-2-enoate is CCC(=CCOc1c(OC)cc(C)cc1OC)C(=O)OC.
What is the InChIKey of methyl 4-(2,6-dimethoxy-4-methylphenoxy)-2-ethylbut-2-enoate?
The InChIKey is QXBMSNTUIWHRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O5/c1-6-12(16(17)20-5)7-8-21-15-13(18-3)9-11(2)10-14(15)19-4/h7,9-10H,6,8H2,1-5H3.
What are the key properties of methyl 4-(2,6-dimethoxy-4-methylphenoxy)-2-ethylbut-2-enoate?
methyl 4-(2,6-dimethoxy-4-methylphenoxy)-2-ethylbut-2-enoate has a molecular weight of 294.35 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,6-dimethoxy-4-methylphenoxy)-2-ethylbut-2-enoate is sourced from PubChem (CID 77101024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).