(E)-3-(2-prop-2-enoxyphenyl)prop-2-enoic acid

C12H12O3 — CID 2064023

IUPAC(E)-3-(2-prop-2-enoxyphenyl)prop-2-enoic acid
SMILESC=CCOc1ccccc1/C=C/C(=O)O
InChIInChI=1S/C12H12O3/c1-2-9-15-11-6-4-3-5-10(11)7-8-12(13)14/h2-8H,1,9H2,(H,13,14)/b8-7+
InChIKeyJNLHYSQRNTVMGI-BQYQJAHWSA-N
MW204.22 g/mol
LogP2.35
Rot. Bonds5

About (E)-3-(2-prop-2-enoxyphenyl)prop-2-enoic acid

(E)-3-(2-prop-2-enoxyphenyl)prop-2-enoic acid (PubChem CID 2064023) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is (E)-3-(2-prop-2-enoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(2-prop-2-enoxyphenyl)prop-2-enoic acid
PubChem CID2064023
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name(E)-3-(2-prop-2-enoxyphenyl)prop-2-enoic acid
SMILESC=CCOc1ccccc1/C=C/C(=O)O
InChIInChI=1S/C12H12O3/c1-2-9-15-11-6-4-3-5-10(11)7-8-12(13)14/h2-8H,1,9H2,(H,13,14)/b8-7+
InChIKeyJNLHYSQRNTVMGI-BQYQJAHWSA-N
XLogP2.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-prop-2-enoxyphenyl)prop-2-enoic acid?
The IUPAC name of (E)-3-(2-prop-2-enoxyphenyl)prop-2-enoic acid (CID 2064023) is (E)-3-(2-prop-2-enoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(2-prop-2-enoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(2-prop-2-enoxyphenyl)prop-2-enoic acid is C=CCOc1ccccc1/C=C/C(=O)O.
What is the InChIKey of (E)-3-(2-prop-2-enoxyphenyl)prop-2-enoic acid?
The InChIKey is JNLHYSQRNTVMGI-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H12O3/c1-2-9-15-11-6-4-3-5-10(11)7-8-12(13)14/h2-8H,1,9H2,(H,13,14)/b8-7+.
What are the key properties of (E)-3-(2-prop-2-enoxyphenyl)prop-2-enoic acid?
(E)-3-(2-prop-2-enoxyphenyl)prop-2-enoic acid has a molecular weight of 204.22 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-prop-2-enoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 2064023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).