(E)-3-(3-ethylphenoxy)-2-methylprop-2-enoic acid

C12H14O3 — CID 59498472

IUPAC(E)-3-(3-ethylphenoxy)-2-methylprop-2-enoic acid
SMILESCCc1cccc(O/C=C(\C)C(=O)O)c1
InChIInChI=1S/C12H14O3/c1-3-10-5-4-6-11(7-10)15-8-9(2)12(13)14/h4-8H,3H2,1-2H3,(H,13,14)/b9-8+
InChIKeyCANWGQWKJQAJJX-CMDGGOBGSA-N
MW206.24 g/mol
LogP2.62
Rot. Bonds4

About (E)-3-(3-ethylphenoxy)-2-methylprop-2-enoic acid

(E)-3-(3-ethylphenoxy)-2-methylprop-2-enoic acid (PubChem CID 59498472) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (E)-3-(3-ethylphenoxy)-2-methylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(3-ethylphenoxy)-2-methylprop-2-enoic acid
PubChem CID59498472
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(E)-3-(3-ethylphenoxy)-2-methylprop-2-enoic acid
SMILESCCc1cccc(O/C=C(\C)C(=O)O)c1
InChIInChI=1S/C12H14O3/c1-3-10-5-4-6-11(7-10)15-8-9(2)12(13)14/h4-8H,3H2,1-2H3,(H,13,14)/b9-8+
InChIKeyCANWGQWKJQAJJX-CMDGGOBGSA-N
XLogP2.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(3-ethoxyphenoxy)-2-methylprop-2-enoic acid
CID 59498199
(E)-3-(3-ethylphenyl)-2-methylprop-2-enoic acid
CID 135263218
(2S)-2-(3-ethylphenoxy)propanoic acid
CID 10845483
(3-ethylphenyl) 2-methyl-3-(4-methylphenoxy)-N-phenylprop-2-enimidate
CID 59498391
1-(3-ethylphenoxy)ethanol
CID 66709778
2-(3-ethylphenoxy)-N'-methylacetohydrazide
CID 116820670
4-[(3-methoxyphenyl)methoxy]-2-methylbut-2-enoic acid
CID 77075874
(3-ethylphenyl) hydrogen sulfate
CID 86290012
2-(3-ethylphenoxy)benzoyl bromide
CID 139662785
3-(3-ethylphenoxy)-N-methylpropanamide
CID 64763281
N'-acetyl-2-(3-ethylphenoxy)acetohydrazide
CID 43011736
(3-ethylphenyl) hypoiodite
CID 71211599

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-ethylphenoxy)-2-methylprop-2-enoic acid?
The IUPAC name of (E)-3-(3-ethylphenoxy)-2-methylprop-2-enoic acid (CID 59498472) is (E)-3-(3-ethylphenoxy)-2-methylprop-2-enoic acid.
What is the SMILES notation for (E)-3-(3-ethylphenoxy)-2-methylprop-2-enoic acid?
The canonical SMILES for (E)-3-(3-ethylphenoxy)-2-methylprop-2-enoic acid is CCc1cccc(O/C=C(\C)C(=O)O)c1.
What is the InChIKey of (E)-3-(3-ethylphenoxy)-2-methylprop-2-enoic acid?
The InChIKey is CANWGQWKJQAJJX-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H14O3/c1-3-10-5-4-6-11(7-10)15-8-9(2)12(13)14/h4-8H,3H2,1-2H3,(H,13,14)/b9-8+.
What are the key properties of (E)-3-(3-ethylphenoxy)-2-methylprop-2-enoic acid?
(E)-3-(3-ethylphenoxy)-2-methylprop-2-enoic acid has a molecular weight of 206.24 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-ethylphenoxy)-2-methylprop-2-enoic acid is sourced from PubChem (CID 59498472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).