(2-ethoxyphenyl) 4-formyl-5-prop-2-enoyloxypentanoate

C17H20O6 — CID 141075886

IUPAC(2-ethoxyphenyl) 4-formyl-5-prop-2-enoyloxypentanoate
SMILESC=CC(=O)OCC(C=O)CCC(=O)Oc1ccccc1OCC
InChIInChI=1S/C17H20O6/c1-3-16(19)22-12-13(11-18)9-10-17(20)23-15-8-6-5-7-14(15)21-4-2/h3,5-8,11,13H,1,4,9-10,12H2,2H3
InChIKeyIFPFHGPUERIXQN-UHFFFAOYSA-N
MW320.34 g/mol
LogP2.32
Rot. Bonds10

About (2-ethoxyphenyl) 4-formyl-5-prop-2-enoyloxypentanoate

(2-ethoxyphenyl) 4-formyl-5-prop-2-enoyloxypentanoate (PubChem CID 141075886) has the molecular formula C17H20O6 and a molecular weight of 320.34 g/mol. Its IUPAC name is (2-ethoxyphenyl) 4-formyl-5-prop-2-enoyloxypentanoate.

Molecular Properties

Compound Name(2-ethoxyphenyl) 4-formyl-5-prop-2-enoyloxypentanoate
PubChem CID141075886
Molecular FormulaC17H20O6
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name(2-ethoxyphenyl) 4-formyl-5-prop-2-enoyloxypentanoate
SMILESC=CC(=O)OCC(C=O)CCC(=O)Oc1ccccc1OCC
InChIInChI=1S/C17H20O6/c1-3-16(19)22-12-13(11-18)9-10-17(20)23-15-8-6-5-7-14(15)21-4-2/h3,5-8,11,13H,1,4,9-10,12H2,2H3
InChIKeyIFPFHGPUERIXQN-UHFFFAOYSA-N
XLogP2.32
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2-ethoxyphenyl) 3-(2-ethoxyphenyl)propanoate
CID 176892707
(2-ethoxyphenyl) prop-2-enoate;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 175484421
(2-ethoxyphenyl) 2-methylbutanoate
CID 118040361
(2-ethoxyphenyl) 3-(4-chlorophenyl)sulfonylpropanoate
CID 55332110
(2-ethoxyphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221084
anthracene-9,10-dione;ethyl prop-2-enoate
CID 70637632
(2-ethoxyphenyl) hex-3-ynoate
CID 118039851
(2,5-diethoxyphenyl) prop-2-enoate
CID 174805229
[1-(4-ethoxybutoxy)-3-phenoxypropan-2-yl] 4-prop-2-enoyloxybutanoate
CID 159786744
2-[2-(2-hydroxyethoxy)phenoxy]ethyl prop-2-enoate
CID 147852586
(1-ethoxy-3-phenoxypropan-2-yl) 4-prop-2-enoyloxybutanoate
CID 159802316
(2-methoxyphenyl) prop-2-enoate
CID 22987486

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl) 4-formyl-5-prop-2-enoyloxypentanoate?
The IUPAC name of (2-ethoxyphenyl) 4-formyl-5-prop-2-enoyloxypentanoate (CID 141075886) is (2-ethoxyphenyl) 4-formyl-5-prop-2-enoyloxypentanoate.
What is the SMILES notation for (2-ethoxyphenyl) 4-formyl-5-prop-2-enoyloxypentanoate?
The canonical SMILES for (2-ethoxyphenyl) 4-formyl-5-prop-2-enoyloxypentanoate is C=CC(=O)OCC(C=O)CCC(=O)Oc1ccccc1OCC.
What is the InChIKey of (2-ethoxyphenyl) 4-formyl-5-prop-2-enoyloxypentanoate?
The InChIKey is IFPFHGPUERIXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O6/c1-3-16(19)22-12-13(11-18)9-10-17(20)23-15-8-6-5-7-14(15)21-4-2/h3,5-8,11,13H,1,4,9-10,12H2,2H3.
What are the key properties of (2-ethoxyphenyl) 4-formyl-5-prop-2-enoyloxypentanoate?
(2-ethoxyphenyl) 4-formyl-5-prop-2-enoyloxypentanoate has a molecular weight of 320.34 g/mol, XLogP of 2.32, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl) 4-formyl-5-prop-2-enoyloxypentanoate is sourced from PubChem (CID 141075886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).