(2,5-diethoxyphenyl) prop-2-enoate

C13H16O4 — CID 174805229

IUPAC(2,5-diethoxyphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1cc(OCC)ccc1OCC
InChIInChI=1S/C13H16O4/c1-4-13(14)17-12-9-10(15-5-2)7-8-11(12)16-6-3/h4,7-9H,1,5-6H2,2-3H3
InChIKeyJFWLVEGLPGIDJY-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.58
Rot. Bonds6

About (2,5-diethoxyphenyl) prop-2-enoate

(2,5-diethoxyphenyl) prop-2-enoate (PubChem CID 174805229) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is (2,5-diethoxyphenyl) prop-2-enoate.

Molecular Properties

Compound Name(2,5-diethoxyphenyl) prop-2-enoate
PubChem CID174805229
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name(2,5-diethoxyphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1cc(OCC)ccc1OCC
InChIInChI=1S/C13H16O4/c1-4-13(14)17-12-9-10(15-5-2)7-8-11(12)16-6-3/h4,7-9H,1,5-6H2,2-3H3
InChIKeyJFWLVEGLPGIDJY-UHFFFAOYSA-N
XLogP2.58
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-ethoxyphenyl) prop-2-enoate
CID 54380290
1-(2,5-diethoxyphenyl)ethanone
CID 4075332
[3,4-di(prop-2-enoyloxy)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]-2-methylbut-2-enoate
CID 123868108
1-(3,4-diethoxyphenyl)prop-2-en-1-one
CID 114982504
[3-methoxy-4-[6-[2-(4-methoxy-3-prop-2-enoyloxyphenoxy)ethoxy]naphthalen-2-yl]phenyl] prop-2-enoate
CID 144761458
[4-(2,3-diethoxy-4-prop-2-enoyloxyphenyl)sulfonyl-2,3-diethoxyphenyl] prop-2-enoate
CID 22620934
1,4-diethoxy-2-prop-2-enylbenzene
CID 24770734
2,4-diethoxybenzamide
CID 17145726
2,4-diethoxybenzoate
CID 6951194
2-(2,5-diethoxyphenyl)acetic acid
CID 4685204
(2-ethoxyphenyl) prop-2-enoate;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 175484421
[6-[2-(3,4-diethoxy-2-prop-2-enoyloxyphenyl)propan-2-yl]-2,3-diethoxyphenyl] prop-2-enoate
CID 67764266

Frequently Asked Questions

What is the IUPAC name of (2,5-diethoxyphenyl) prop-2-enoate?
The IUPAC name of (2,5-diethoxyphenyl) prop-2-enoate (CID 174805229) is (2,5-diethoxyphenyl) prop-2-enoate.
What is the SMILES notation for (2,5-diethoxyphenyl) prop-2-enoate?
The canonical SMILES for (2,5-diethoxyphenyl) prop-2-enoate is C=CC(=O)Oc1cc(OCC)ccc1OCC.
What is the InChIKey of (2,5-diethoxyphenyl) prop-2-enoate?
The InChIKey is JFWLVEGLPGIDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-4-13(14)17-12-9-10(15-5-2)7-8-11(12)16-6-3/h4,7-9H,1,5-6H2,2-3H3.
What are the key properties of (2,5-diethoxyphenyl) prop-2-enoate?
(2,5-diethoxyphenyl) prop-2-enoate has a molecular weight of 236.27 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-diethoxyphenyl) prop-2-enoate is sourced from PubChem (CID 174805229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).