(2E)-4-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)penta-2,4-dienoic acid

C20H20O4 — CID 88570224

IUPAC(2E)-4-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)penta-2,4-dienoic acid
SMILESC=C(/C=C(/C(=O)O)c1ccccc1C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H20O4/c1-13-7-5-6-8-16(13)17(20(21)22)11-14(2)15-9-10-18(23-3)19(12-15)24-4/h5-12H,2H2,1,3-4H3,(H,21,22)/b17-11+
InChIKeyOTNXIXNKJZRBAJ-GZTJUZNOSA-N
MW324.38 g/mol
LogP4.19
Rot. Bonds6

About (2E)-4-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)penta-2,4-dienoic acid

(2E)-4-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)penta-2,4-dienoic acid (PubChem CID 88570224) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2E)-4-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)penta-2,4-dienoic acid.

Molecular Properties

Compound Name(2E)-4-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)penta-2,4-dienoic acid
PubChem CID88570224
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name(2E)-4-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)penta-2,4-dienoic acid
SMILESC=C(/C=C(/C(=O)O)c1ccccc1C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H20O4/c1-13-7-5-6-8-16(13)17(20(21)22)11-14(2)15-9-10-18(23-3)19(12-15)24-4/h5-12H,2H2,1,3-4H3,(H,21,22)/b17-11+
InChIKeyOTNXIXNKJZRBAJ-GZTJUZNOSA-N
XLogP4.19
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.19
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

(2E)-2-(3,4-dimethoxyphenyl)penta-2,4-dienoic acid
CID 88648997
[(E)-[amino-(2-methylphenyl)methylidene]amino] 3,4-dimethoxybenzoate
CID 6106202
1-(3,4-dimethoxyphenyl)ethanone;1-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-methylbenzene
CID 143845030
1-[4-[4-[(3Z)-5-methyl-4-(2-methylphenyl)hexa-1,3,5-trien-2-yl]phenyl]phenyl]ethanone
CID 145465219
(Z)-2-(4-methoxy-3-methylphenyl)but-2-enedioic acid
CID 82116687
1-[2-(3,4-dimethoxybenzoyl)phenyl]ethanone
CID 102341182
3-amino-3-(3,4-dimethoxyphenyl)prop-2-enoic acid
CID 70025208
3,4-dimethoxybenzoic acid;methanol
CID 144580050
(Z)-3-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)prop-2-enoic acid
CID 19421560
1-(3,4-dimethoxyphenyl)-2-methylprop-2-en-1-one
CID 79189812
methyl (2E)-4-chloro-2-(2-methylphenyl)penta-2,4-dienoate
CID 89174791
(Z)-3-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enoic acid
CID 19421512

Frequently Asked Questions

What is the IUPAC name of (2E)-4-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)penta-2,4-dienoic acid?
The IUPAC name of (2E)-4-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)penta-2,4-dienoic acid (CID 88570224) is (2E)-4-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)penta-2,4-dienoic acid.
What is the SMILES notation for (2E)-4-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)penta-2,4-dienoic acid?
The canonical SMILES for (2E)-4-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)penta-2,4-dienoic acid is C=C(/C=C(/C(=O)O)c1ccccc1C)c1ccc(OC)c(OC)c1.
What is the InChIKey of (2E)-4-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)penta-2,4-dienoic acid?
The InChIKey is OTNXIXNKJZRBAJ-GZTJUZNOSA-N. The full InChI is InChI=1S/C20H20O4/c1-13-7-5-6-8-16(13)17(20(21)22)11-14(2)15-9-10-18(23-3)19(12-15)24-4/h5-12H,2H2,1,3-4H3,(H,21,22)/b17-11+.
What are the key properties of (2E)-4-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)penta-2,4-dienoic acid?
(2E)-4-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)penta-2,4-dienoic acid has a molecular weight of 324.38 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)penta-2,4-dienoic acid is sourced from PubChem (CID 88570224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).