(3-ethoxyphenyl) prop-2-enoate

C11H12O3 — CID 54380290

IUPAC(3-ethoxyphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1cccc(OCC)c1
InChIInChI=1S/C11H12O3/c1-3-11(12)14-10-7-5-6-9(8-10)13-4-2/h3,5-8H,1,4H2,2H3
InChIKeyUZKINAFDNQNPLH-UHFFFAOYSA-N
MW192.21 g/mol
LogP2.18
Rot. Bonds4

About (3-ethoxyphenyl) prop-2-enoate

(3-ethoxyphenyl) prop-2-enoate (PubChem CID 54380290) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is (3-ethoxyphenyl) prop-2-enoate.

Molecular Properties

Compound Name(3-ethoxyphenyl) prop-2-enoate
PubChem CID54380290
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name(3-ethoxyphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1cccc(OCC)c1
InChIInChI=1S/C11H12O3/c1-3-11(12)14-10-7-5-6-9(8-10)13-4-2/h3,5-8H,1,4H2,2H3
InChIKeyUZKINAFDNQNPLH-UHFFFAOYSA-N
XLogP2.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(2,5-diethoxyphenyl) prop-2-enoate
CID 174805229
(3-chlorophenyl) prop-2-enoate
CID 10241458
(3-carbonochloridoyloxyphenyl) prop-2-enoate
CID 174628554
[3-(2,2-dichloroacetyl)oxyphenyl] prop-2-enoate
CID 91692780
ethene;(3-methylphenyl) prop-2-enoate
CID 161018707
(3-fluorophenyl) prop-2-enoate
CID 21098293
1-buta-1,3-dien-2-yl-3-ethoxybenzene
CID 123164385
bis(3-prop-2-enoxyphenyl) carbonate
CID 175530983
[4-[3-[4-(4-ethoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-ethoxybenzoate
CID 143295267
1-ethenyl-3-ethoxybenzene
CID 11672687
(E)-4-(3-ethoxyphenoxy)but-2-enoic acid
CID 62341931
3-(3-ethoxyphenyl)-3-oxopropanal
CID 55266464

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl) prop-2-enoate?
The IUPAC name of (3-ethoxyphenyl) prop-2-enoate (CID 54380290) is (3-ethoxyphenyl) prop-2-enoate.
What is the SMILES notation for (3-ethoxyphenyl) prop-2-enoate?
The canonical SMILES for (3-ethoxyphenyl) prop-2-enoate is C=CC(=O)Oc1cccc(OCC)c1.
What is the InChIKey of (3-ethoxyphenyl) prop-2-enoate?
The InChIKey is UZKINAFDNQNPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-3-11(12)14-10-7-5-6-9(8-10)13-4-2/h3,5-8H,1,4H2,2H3.
What are the key properties of (3-ethoxyphenyl) prop-2-enoate?
(3-ethoxyphenyl) prop-2-enoate has a molecular weight of 192.21 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl) prop-2-enoate is sourced from PubChem (CID 54380290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).