2-ethylbutyl 3-(4-methoxy-3-propoxyphenyl)prop-2-enoate

C19H28O4 — CID 73430570

IUPAC2-ethylbutyl 3-(4-methoxy-3-propoxyphenyl)prop-2-enoate
SMILESCCCOc1cc(C=CC(=O)OCC(CC)CC)ccc1OC
InChIInChI=1S/C19H28O4/c1-5-12-22-18-13-16(8-10-17(18)21-4)9-11-19(20)23-14-15(6-2)7-3/h8-11,13,15H,5-7,12,14H2,1-4H3
InChIKeyZNKFFVIZLBGTCY-UHFFFAOYSA-N
MW320.43 g/mol
LogP4.48
Rot. Bonds10

About 2-ethylbutyl 3-(4-methoxy-3-propoxyphenyl)prop-2-enoate

2-ethylbutyl 3-(4-methoxy-3-propoxyphenyl)prop-2-enoate (PubChem CID 73430570) has the molecular formula C19H28O4 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-ethylbutyl 3-(4-methoxy-3-propoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name2-ethylbutyl 3-(4-methoxy-3-propoxyphenyl)prop-2-enoate
PubChem CID73430570
Molecular FormulaC19H28O4
Molecular Weight320.43 g/mol
Exact Mass320.20
IUPAC Name2-ethylbutyl 3-(4-methoxy-3-propoxyphenyl)prop-2-enoate
SMILESCCCOc1cc(C=CC(=O)OCC(CC)CC)ccc1OC
InChIInChI=1S/C19H28O4/c1-5-12-22-18-13-16(8-10-17(18)21-4)9-11-19(20)23-14-15(6-2)7-3/h8-11,13,15H,5-7,12,14H2,1-4H3
InChIKeyZNKFFVIZLBGTCY-UHFFFAOYSA-N
XLogP4.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 54.48
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

pentyl (E)-3-(4-methoxy-3-pentoxyphenyl)prop-2-enoate
CID 19363451
(E)-3-(4-methoxy-3-propoxyphenyl)prop-2-enoic acid
CID 20534154
(E)-3-(4-methoxy-3-propoxyphenyl)prop-2-enoyl chloride
CID 82042141
(E)-4-(4-methoxy-3-propoxyphenyl)-2-oxobut-3-enoic acid
CID 82161364
2-ethylbutyl 3-[3-[(4-fluoro-2,6-dinitrophenyl)methoxy]-4-methoxyphenyl]prop-2-enoate
CID 74006960
2-ethylhexyl (E)-3-(3-chloro-4-methoxyphenyl)prop-2-enoate
CID 138756433
hexyl 3-(3-ethoxy-4-methoxyphenyl)prop-2-enoate
CID 91155822
dodecyl 3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 71347266
nonyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 164675970
hexyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 142627715
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] (E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoate
CID 7549383
ethyl 3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate
CID 131846335

Frequently Asked Questions

What is the IUPAC name of 2-ethylbutyl 3-(4-methoxy-3-propoxyphenyl)prop-2-enoate?
The IUPAC name of 2-ethylbutyl 3-(4-methoxy-3-propoxyphenyl)prop-2-enoate (CID 73430570) is 2-ethylbutyl 3-(4-methoxy-3-propoxyphenyl)prop-2-enoate.
What is the SMILES notation for 2-ethylbutyl 3-(4-methoxy-3-propoxyphenyl)prop-2-enoate?
The canonical SMILES for 2-ethylbutyl 3-(4-methoxy-3-propoxyphenyl)prop-2-enoate is CCCOc1cc(C=CC(=O)OCC(CC)CC)ccc1OC.
What is the InChIKey of 2-ethylbutyl 3-(4-methoxy-3-propoxyphenyl)prop-2-enoate?
The InChIKey is ZNKFFVIZLBGTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O4/c1-5-12-22-18-13-16(8-10-17(18)21-4)9-11-19(20)23-14-15(6-2)7-3/h8-11,13,15H,5-7,12,14H2,1-4H3.
What are the key properties of 2-ethylbutyl 3-(4-methoxy-3-propoxyphenyl)prop-2-enoate?
2-ethylbutyl 3-(4-methoxy-3-propoxyphenyl)prop-2-enoate has a molecular weight of 320.43 g/mol, XLogP of 4.48, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbutyl 3-(4-methoxy-3-propoxyphenyl)prop-2-enoate is sourced from PubChem (CID 73430570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).