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

C11H12O3 — CID 57252854

IUPAC4-(4-methoxyphenyl)but-2-enoic acid
SMILESCOc1ccc(CC=CC(=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)
InChIKeyDYIPCKSJVPFQJM-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.88
Rot. Bonds4

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

4-(4-methoxyphenyl)but-2-enoic acid (PubChem CID 57252854) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)but-2-enoic acid.

Molecular Properties

Compound Name4-(4-methoxyphenyl)but-2-enoic acid
PubChem CID57252854
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name4-(4-methoxyphenyl)but-2-enoic acid
SMILESCOc1ccc(CC=CC(=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)
InChIKeyDYIPCKSJVPFQJM-UHFFFAOYSA-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'}

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Related Compounds

(E)-4-(4-methoxyphenyl)but-2-enoic acid
CID 67215752
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 4-(4-methoxyphenyl)but-2-enoic acid?
The IUPAC name of 4-(4-methoxyphenyl)but-2-enoic acid (CID 57252854) is 4-(4-methoxyphenyl)but-2-enoic acid.
What is the SMILES notation for 4-(4-methoxyphenyl)but-2-enoic acid?
The canonical SMILES for 4-(4-methoxyphenyl)but-2-enoic acid is COc1ccc(CC=CC(=O)O)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)but-2-enoic acid?
The InChIKey is DYIPCKSJVPFQJM-UHFFFAOYSA-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).
What are the key properties of 4-(4-methoxyphenyl)but-2-enoic acid?
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 4-(4-methoxyphenyl)but-2-enoic acid is sourced from PubChem (CID 57252854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).