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

C11H12O3 — CID 67215752

IUPAC(E)-4-(4-methoxyphenyl)but-2-enoic acid
SMILESCOc1ccc(C/C=C/C(=O)O)cc1
InChIInChI=1S/C11H12O3/c1-14-10-7-5-9(6-8-10)3-2-4-11(12)13/h2,4-8H,3H2,1H3,(H,12,13)/b4-2+
InChIKeyDYIPCKSJVPFQJM-DUXPYHPUSA-N
MW192.21 g/mol
LogP1.88
Rot. Bonds4

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

(E)-4-(4-methoxyphenyl)but-2-enoic acid (PubChem CID 67215752) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is (E)-4-(4-methoxyphenyl)but-2-enoic acid.

Molecular Properties

Compound Name(E)-4-(4-methoxyphenyl)but-2-enoic acid
PubChem CID67215752
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name(E)-4-(4-methoxyphenyl)but-2-enoic acid
SMILESCOc1ccc(C/C=C/C(=O)O)cc1
InChIInChI=1S/C11H12O3/c1-14-10-7-5-9(6-8-10)3-2-4-11(12)13/h2,4-8H,3H2,1H3,(H,12,13)/b4-2+
InChIKeyDYIPCKSJVPFQJM-DUXPYHPUSA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-4-(4-methoxyphenyl)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

4-(4-methoxyphenyl)but-2-enoic acid
CID 57252854
1-methoxy-4-[4-(4-methoxyphenyl)but-2-enyl]benzene
CID 54485845
1-[(2E)-4-chloro-5-methylhexa-2,4-dienyl]-4-methoxybenzene
CID 102046770
(E)-4-(4-formylphenyl)but-2-enoic acid
CID 167512845
(E)-4-naphthalen-2-ylbut-2-enoic acid
CID 11789094
(E)-N-benzyl-N-[(4-methoxyphenyl)methyl]-4-oxo-7-phenylhept-5-enamide
CID 102401683
1-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 10800947
(Z)-4-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-4-oxobut-2-enoic acid
CID 92957533
3-(3,4-dimethoxyphenyl)-2-[(E)-4-(4-methoxyphenyl)but-2-enoyl]oxypropanoic acid
CID 71699165
CID 69129935
CID 69129935
azane;3-(4-methoxyphenyl)prop-2-enoic acid
CID 69170701
1-[(E)-3-(benzenesulfonyl)prop-2-enyl]-4-methoxybenzene
CID 138974571

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-methoxyphenyl)but-2-enoic acid?
The IUPAC name of (E)-4-(4-methoxyphenyl)but-2-enoic acid (CID 67215752) is (E)-4-(4-methoxyphenyl)but-2-enoic acid.
What is the SMILES notation for (E)-4-(4-methoxyphenyl)but-2-enoic acid?
The canonical SMILES for (E)-4-(4-methoxyphenyl)but-2-enoic acid is COc1ccc(C/C=C/C(=O)O)cc1.
What is the InChIKey of (E)-4-(4-methoxyphenyl)but-2-enoic acid?
The InChIKey is DYIPCKSJVPFQJM-DUXPYHPUSA-N. The full InChI is InChI=1S/C11H12O3/c1-14-10-7-5-9(6-8-10)3-2-4-11(12)13/h2,4-8H,3H2,1H3,(H,12,13)/b4-2+.
What are the key properties of (E)-4-(4-methoxyphenyl)but-2-enoic acid?
(E)-4-(4-methoxyphenyl)but-2-enoic acid has a molecular weight of 192.21 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-methoxyphenyl)but-2-enoic acid is sourced from PubChem (CID 67215752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).