methyl 4-(4-ethoxyphenoxy)-2-ethylbut-2-enoate

C15H20O4 — CID 77100339

IUPACmethyl 4-(4-ethoxyphenoxy)-2-ethylbut-2-enoate
SMILESCCOc1ccc(OCC=C(CC)C(=O)OC)cc1
InChIInChI=1S/C15H20O4/c1-4-12(15(16)17-3)10-11-19-14-8-6-13(7-9-14)18-5-2/h6-10H,4-5,11H2,1-3H3
InChIKeySKCBVCDLANRYKG-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.97
Rot. Bonds7

About methyl 4-(4-ethoxyphenoxy)-2-ethylbut-2-enoate

methyl 4-(4-ethoxyphenoxy)-2-ethylbut-2-enoate (PubChem CID 77100339) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 4-(4-ethoxyphenoxy)-2-ethylbut-2-enoate.

Molecular Properties

Compound Namemethyl 4-(4-ethoxyphenoxy)-2-ethylbut-2-enoate
PubChem CID77100339
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Namemethyl 4-(4-ethoxyphenoxy)-2-ethylbut-2-enoate
SMILESCCOc1ccc(OCC=C(CC)C(=O)OC)cc1
InChIInChI=1S/C15H20O4/c1-4-12(15(16)17-3)10-11-19-14-8-6-13(7-9-14)18-5-2/h6-10H,4-5,11H2,1-3H3
InChIKeySKCBVCDLANRYKG-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
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 (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-[(5-chloro-3-pyridinyl)oxy]-2-ethylbut-2-enoate
CID 77101807
methyl 2-ethyl-4-[3-(methoxymethyl)phenoxy]but-2-enoate
CID 77101360
methyl 4-ethoxy-2-ethylbut-2-enoate
CID 77100412
methyl (Z)-2-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]but-2-enoate
CID 114939880
methyl 4-(2,4-dimethylphenoxy)-2-ethylbut-2-enoate
CID 77100370
4-(4-ethoxyphenoxy)-2-methylbut-2-enoic acid
CID 77075751
2-ethyl-4-(4-ethylphenoxy)but-2-enoic acid
CID 77100433
methyl 4-(2,3-difluorophenoxy)-2-ethylbut-2-enoate
CID 77102358
2-ethyl-4-(4-formylphenoxy)but-2-enoic acid
CID 77101910
4-(4-tert-butylphenoxy)-2-ethylbut-2-enoic acid
CID 77100441

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-ethoxyphenoxy)-2-ethylbut-2-enoate?
The IUPAC name of methyl 4-(4-ethoxyphenoxy)-2-ethylbut-2-enoate (CID 77100339) is methyl 4-(4-ethoxyphenoxy)-2-ethylbut-2-enoate.
What is the SMILES notation for methyl 4-(4-ethoxyphenoxy)-2-ethylbut-2-enoate?
The canonical SMILES for methyl 4-(4-ethoxyphenoxy)-2-ethylbut-2-enoate is CCOc1ccc(OCC=C(CC)C(=O)OC)cc1.
What is the InChIKey of methyl 4-(4-ethoxyphenoxy)-2-ethylbut-2-enoate?
The InChIKey is SKCBVCDLANRYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-4-12(15(16)17-3)10-11-19-14-8-6-13(7-9-14)18-5-2/h6-10H,4-5,11H2,1-3H3.
What are the key properties of methyl 4-(4-ethoxyphenoxy)-2-ethylbut-2-enoate?
methyl 4-(4-ethoxyphenoxy)-2-ethylbut-2-enoate has a molecular weight of 264.32 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-ethoxyphenoxy)-2-ethylbut-2-enoate is sourced from PubChem (CID 77100339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).