3-methoxy-5-(4-methoxyphenyl)penta-2,4-dienoic acid

C13H14O4 — CID 71336334

IUPAC3-methoxy-5-(4-methoxyphenyl)penta-2,4-dienoic acid
SMILESCOC(C=Cc1ccc(OC)cc1)=CC(=O)O
InChIInChI=1S/C13H14O4/c1-16-11-6-3-10(4-7-11)5-8-12(17-2)9-13(14)15/h3-9H,1-2H3,(H,14,15)
InChIKeyUXUKTUYGJGCDQY-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.32
Rot. Bonds5

About 3-methoxy-5-(4-methoxyphenyl)penta-2,4-dienoic acid

3-methoxy-5-(4-methoxyphenyl)penta-2,4-dienoic acid (PubChem CID 71336334) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-methoxy-5-(4-methoxyphenyl)penta-2,4-dienoic acid.

Molecular Properties

Compound Name3-methoxy-5-(4-methoxyphenyl)penta-2,4-dienoic acid
PubChem CID71336334
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name3-methoxy-5-(4-methoxyphenyl)penta-2,4-dienoic acid
SMILESCOC(C=Cc1ccc(OC)cc1)=CC(=O)O
InChIInChI=1S/C13H14O4/c1-16-11-6-3-10(4-7-11)5-8-12(17-2)9-13(14)15/h3-9H,1-2H3,(H,14,15)
InChIKeyUXUKTUYGJGCDQY-UHFFFAOYSA-N
XLogP2.32
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chlorophenyl)-3-methoxypenta-2,4-dienoic acid
CID 71336819
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
(E)-3-(4-methoxyphenyl)-N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406103
CID 69129935
CID 69129935
azane;3-(4-methoxyphenyl)prop-2-enoic acid
CID 69170701
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]prop-2-enamide
CID 2933087
2-[3-(4-methoxyphenyl)prop-2-enoylamino]acetic acid
CID 3401706
3-[4-(4-methoxyphenoxy)phenyl]prop-2-enoic acid
CID 20993961
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
methyl N-[3-(4-methoxyphenyl)prop-2-enoylamino]carbamate
CID 3316447
3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 2097972
bis((1E,4Z,6E)-5-hydroxy-1,7-bis(4-methoxyphenyl)hepta-1,4,6-trien-3-one);nickel
CID 10842631

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(4-methoxyphenyl)penta-2,4-dienoic acid?
The IUPAC name of 3-methoxy-5-(4-methoxyphenyl)penta-2,4-dienoic acid (CID 71336334) is 3-methoxy-5-(4-methoxyphenyl)penta-2,4-dienoic acid.
What is the SMILES notation for 3-methoxy-5-(4-methoxyphenyl)penta-2,4-dienoic acid?
The canonical SMILES for 3-methoxy-5-(4-methoxyphenyl)penta-2,4-dienoic acid is COC(C=Cc1ccc(OC)cc1)=CC(=O)O.
What is the InChIKey of 3-methoxy-5-(4-methoxyphenyl)penta-2,4-dienoic acid?
The InChIKey is UXUKTUYGJGCDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c1-16-11-6-3-10(4-7-11)5-8-12(17-2)9-13(14)15/h3-9H,1-2H3,(H,14,15).
What are the key properties of 3-methoxy-5-(4-methoxyphenyl)penta-2,4-dienoic acid?
3-methoxy-5-(4-methoxyphenyl)penta-2,4-dienoic acid has a molecular weight of 234.25 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(4-methoxyphenyl)penta-2,4-dienoic acid is sourced from PubChem (CID 71336334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).