(E)-4-(2-methoxyphenoxy)but-2-enoic acid

C11H12O4 — CID 62342886

IUPAC(E)-4-(2-methoxyphenoxy)but-2-enoic acid
SMILESCOc1ccccc1OC/C=C/C(=O)O
InChIInChI=1S/C11H12O4/c1-14-9-5-2-3-6-10(9)15-8-4-7-11(12)13/h2-7H,8H2,1H3,(H,12,13)/b7-4+
InChIKeyVOJVJWMKAJUWCI-QPJJXVBHSA-N
MW208.21 g/mol
LogP1.71
Rot. Bonds5

About (E)-4-(2-methoxyphenoxy)but-2-enoic acid

(E)-4-(2-methoxyphenoxy)but-2-enoic acid (PubChem CID 62342886) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is (E)-4-(2-methoxyphenoxy)but-2-enoic acid.

Molecular Properties

Compound Name(E)-4-(2-methoxyphenoxy)but-2-enoic acid
PubChem CID62342886
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name(E)-4-(2-methoxyphenoxy)but-2-enoic acid
SMILESCOc1ccccc1OC/C=C/C(=O)O
InChIInChI=1S/C11H12O4/c1-14-9-5-2-3-6-10(9)15-8-4-7-11(12)13/h2-7H,8H2,1H3,(H,12,13)/b7-4+
InChIKeyVOJVJWMKAJUWCI-QPJJXVBHSA-N
XLogP1.71
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-4-(2-methoxyphenoxy)but-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-4-(2-iodophenoxy)but-2-enoic acid
CID 62342305
(E)-4-(2-chlorophenoxy)but-2-enoic acid
CID 62342104
(E)-4-[2-(hydroxymethyl)phenoxy]but-2-enoic acid
CID 63653773
4-(2-prop-1-enylphenoxy)but-2-enoic acid
CID 76940552
(E)-4-(2-acetamidophenoxy)but-2-enoic acid
CID 55065855
3-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 22685156
2-ethyl-4-(2-methoxyphenoxy)but-2-enoic acid
CID 77100481
1-methoxy-2-(3-methylbut-2-enoxy)benzene
CID 59165590
3-[5-[(2-methoxyphenoxy)methyl]thiophen-2-yl]prop-2-enoic acid
CID 76918116
[2,6-dimethoxy-4-[(E)-3-(2-methoxyphenoxy)prop-1-enyl]phenyl] acetate
CID 13436223
3-[5-chloro-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 20985993
3-(2-methoxyphenoxy)propyl (E)-3-phenylprop-2-enoate
CID 5357048

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-methoxyphenoxy)but-2-enoic acid?
The IUPAC name of (E)-4-(2-methoxyphenoxy)but-2-enoic acid (CID 62342886) is (E)-4-(2-methoxyphenoxy)but-2-enoic acid.
What is the SMILES notation for (E)-4-(2-methoxyphenoxy)but-2-enoic acid?
The canonical SMILES for (E)-4-(2-methoxyphenoxy)but-2-enoic acid is COc1ccccc1OC/C=C/C(=O)O.
What is the InChIKey of (E)-4-(2-methoxyphenoxy)but-2-enoic acid?
The InChIKey is VOJVJWMKAJUWCI-QPJJXVBHSA-N. The full InChI is InChI=1S/C11H12O4/c1-14-9-5-2-3-6-10(9)15-8-4-7-11(12)13/h2-7H,8H2,1H3,(H,12,13)/b7-4+.
What are the key properties of (E)-4-(2-methoxyphenoxy)but-2-enoic acid?
(E)-4-(2-methoxyphenoxy)but-2-enoic acid has a molecular weight of 208.21 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-methoxyphenoxy)but-2-enoic acid is sourced from PubChem (CID 62342886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).