(2Z,4E)-5-(2,4-dimethoxyphenyl)-3-methylpenta-2,4-dienoic acid

C14H16O4 — CID 1368846

IUPAC(2Z,4E)-5-(2,4-dimethoxyphenyl)-3-methylpenta-2,4-dienoic acid
SMILESCOc1ccc(/C=C/C(C)=C\C(=O)O)c(OC)c1
InChIInChI=1S/C14H16O4/c1-10(8-14(15)16)4-5-11-6-7-12(17-2)9-13(11)18-3/h4-9H,1-3H3,(H,15,16)/b5-4+,10-8-
InChIKeyVYGXWZWHPWTGRW-OOFLMXFCSA-N
MW248.28 g/mol
LogP2.75
Rot. Bonds5

About (2Z,4E)-5-(2,4-dimethoxyphenyl)-3-methylpenta-2,4-dienoic acid

(2Z,4E)-5-(2,4-dimethoxyphenyl)-3-methylpenta-2,4-dienoic acid (PubChem CID 1368846) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is (2Z,4E)-5-(2,4-dimethoxyphenyl)-3-methylpenta-2,4-dienoic acid.

Molecular Properties

Compound Name(2Z,4E)-5-(2,4-dimethoxyphenyl)-3-methylpenta-2,4-dienoic acid
PubChem CID1368846
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name(2Z,4E)-5-(2,4-dimethoxyphenyl)-3-methylpenta-2,4-dienoic acid
SMILESCOc1ccc(/C=C/C(C)=C\C(=O)O)c(OC)c1
InChIInChI=1S/C14H16O4/c1-10(8-14(15)16)4-5-11-6-7-12(17-2)9-13(11)18-3/h4-9H,1-3H3,(H,15,16)/b5-4+,10-8-
InChIKeyVYGXWZWHPWTGRW-OOFLMXFCSA-N
XLogP2.75
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium (2Z,4E)-5-(2,4-dimethoxyphenyl)-3-methylpenta-2,4-dienoate
CID 23662890
(E)-4-(2,4-dimethoxyphenyl)-2-oxobut-3-enoic acid
CID 82159207
(1E,6E)-1,7-bis(2,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68552465
1-(2,4-dimethoxyphenyl)penta-1,4-dien-3-one
CID 175699870
(E)-3-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)prop-2-en-1-one
CID 10131464
(4-chlorophenyl) 3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 732877
(3,4-dimethylphenyl) 3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 732859
(2R)-2-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 92920815
2-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 82043566
(Z)-3-[4-[2-[2-[4-[(E)-2-carboxyethenyl]-3-methoxyphenoxy]ethoxy]ethoxy]-2-methoxyphenyl]prop-2-enoic acid
CID 89026724
(E)-3-(2,4-dimethoxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 9448321
1-(azepan-1-yl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 102603138

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-(2,4-dimethoxyphenyl)-3-methylpenta-2,4-dienoic acid?
The IUPAC name of (2Z,4E)-5-(2,4-dimethoxyphenyl)-3-methylpenta-2,4-dienoic acid (CID 1368846) is (2Z,4E)-5-(2,4-dimethoxyphenyl)-3-methylpenta-2,4-dienoic acid.
What is the SMILES notation for (2Z,4E)-5-(2,4-dimethoxyphenyl)-3-methylpenta-2,4-dienoic acid?
The canonical SMILES for (2Z,4E)-5-(2,4-dimethoxyphenyl)-3-methylpenta-2,4-dienoic acid is COc1ccc(/C=C/C(C)=C\C(=O)O)c(OC)c1.
What is the InChIKey of (2Z,4E)-5-(2,4-dimethoxyphenyl)-3-methylpenta-2,4-dienoic acid?
The InChIKey is VYGXWZWHPWTGRW-OOFLMXFCSA-N. The full InChI is InChI=1S/C14H16O4/c1-10(8-14(15)16)4-5-11-6-7-12(17-2)9-13(11)18-3/h4-9H,1-3H3,(H,15,16)/b5-4+,10-8-.
What are the key properties of (2Z,4E)-5-(2,4-dimethoxyphenyl)-3-methylpenta-2,4-dienoic acid?
(2Z,4E)-5-(2,4-dimethoxyphenyl)-3-methylpenta-2,4-dienoic acid has a molecular weight of 248.28 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-(2,4-dimethoxyphenyl)-3-methylpenta-2,4-dienoic acid is sourced from PubChem (CID 1368846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).