3-(4-ethoxyphenyl)-2-methylprop-2-enoic acid

C12H14O3 — CID 54032507

IUPAC3-(4-ethoxyphenyl)-2-methylprop-2-enoic acid
SMILESCCOc1ccc(C=C(C)C(=O)O)cc1
InChIInChI=1S/C12H14O3/c1-3-15-11-6-4-10(5-7-11)8-9(2)12(13)14/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyLGOZWMYQVCFFFQ-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.57
Rot. Bonds4

About 3-(4-ethoxyphenyl)-2-methylprop-2-enoic acid

3-(4-ethoxyphenyl)-2-methylprop-2-enoic acid (PubChem CID 54032507) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-2-methylprop-2-enoic acid.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-2-methylprop-2-enoic acid
PubChem CID54032507
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name3-(4-ethoxyphenyl)-2-methylprop-2-enoic acid
SMILESCCOc1ccc(C=C(C)C(=O)O)cc1
InChIInChI=1S/C12H14O3/c1-3-15-11-6-4-10(5-7-11)8-9(2)12(13)14/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyLGOZWMYQVCFFFQ-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[4-(carboxymethoxy)phenyl]-2-methylprop-2-enoic acid
CID 170872967
3-(4-ethoxyphenyl)-2-fluoroprop-2-enoic acid
CID 79726253
3-[4-(2-carboxyprop-1-enyl)phenyl]-2-methylprop-2-enoic acid
CID 54467707
(E)-2-methyl-3-(4-propanoyloxyphenyl)prop-2-enoic acid
CID 70408331
4-(4-ethoxyphenoxy)-2-methylbut-2-enoic acid
CID 77075751
3-(4-ethoxyphenyl)-2-methylprop-2-enoyl isocyanate
CID 174656252
2-cyano-3-(4-ethoxyphenyl)prop-2-enoic acid
CID 3557192
3-(4-carbamoyloxyphenyl)-2-methylprop-2-enoic acid
CID 123813145
(Z)-2-methyl-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid
CID 124656957
3-[4-(4-dodecoxybenzoyl)oxyphenyl]-2-methylprop-2-enoic acid
CID 70439093
(Z)-3-(4-ethoxyphenyl)-2-(4-fluorophenyl)prop-2-enoic acid
CID 83950433
2-methyl-3-(4-phenylmethoxyphenyl)prop-2-enoic acid;N-propan-2-ylpropan-2-amine
CID 173177588

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-2-methylprop-2-enoic acid?
The IUPAC name of 3-(4-ethoxyphenyl)-2-methylprop-2-enoic acid (CID 54032507) is 3-(4-ethoxyphenyl)-2-methylprop-2-enoic acid.
What is the SMILES notation for 3-(4-ethoxyphenyl)-2-methylprop-2-enoic acid?
The canonical SMILES for 3-(4-ethoxyphenyl)-2-methylprop-2-enoic acid is CCOc1ccc(C=C(C)C(=O)O)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-2-methylprop-2-enoic acid?
The InChIKey is LGOZWMYQVCFFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-3-15-11-6-4-10(5-7-11)8-9(2)12(13)14/h4-8H,3H2,1-2H3,(H,13,14).
What are the key properties of 3-(4-ethoxyphenyl)-2-methylprop-2-enoic acid?
3-(4-ethoxyphenyl)-2-methylprop-2-enoic acid has a molecular weight of 206.24 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-2-methylprop-2-enoic acid is sourced from PubChem (CID 54032507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).