(2E,4E)-5-(3-ethylphenyl)penta-2,4-dienoic acid

C13H14O2 — CID 22003641

IUPAC(2E,4E)-5-(3-ethylphenyl)penta-2,4-dienoic acid
SMILESCCc1cccc(/C=C/C=C/C(=O)O)c1
InChIInChI=1S/C13H14O2/c1-2-11-7-5-8-12(10-11)6-3-4-9-13(14)15/h3-10H,2H2,1H3,(H,14,15)/b6-3+,9-4+
InChIKeyIIWBWOYSKCNBBL-PLPQCDBPSA-N
MW202.25 g/mol
LogP2.90
Rot. Bonds4

About (2E,4E)-5-(3-ethylphenyl)penta-2,4-dienoic acid

(2E,4E)-5-(3-ethylphenyl)penta-2,4-dienoic acid (PubChem CID 22003641) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2E,4E)-5-(3-ethylphenyl)penta-2,4-dienoic acid.

Molecular Properties

Compound Name(2E,4E)-5-(3-ethylphenyl)penta-2,4-dienoic acid
PubChem CID22003641
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name(2E,4E)-5-(3-ethylphenyl)penta-2,4-dienoic acid
SMILESCCc1cccc(/C=C/C=C/C(=O)O)c1
InChIInChI=1S/C13H14O2/c1-2-11-7-5-8-12(10-11)6-3-4-9-13(14)15/h3-10H,2H2,1H3,(H,14,15)/b6-3+,9-4+
InChIKeyIIWBWOYSKCNBBL-PLPQCDBPSA-N
XLogP2.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

methyl (2E,4E)-5-(3-ethylphenyl)penta-2,4-dienoate
CID 127264099
4-(3-ethylphenyl)but-3-en-2-one
CID 174630959
methyl (Z)-3-(3-ethylphenyl)prop-2-enoate
CID 97305033
(2E,4Z)-5-(3-methoxyphenyl)penta-2,4-dienoic acid
CID 86306504
(E)-3-(3-ethylphenyl)-2-methylprop-2-enoic acid
CID 135263218
5-phenylpenta-2,4-dienoic acid;hydrochloride
CID 173012318
3-[3-[[ethyl(propan-2-yl)amino]methyl]phenyl]prop-2-enoic acid
CID 54975079
3-(3-tridecylphenyl)prop-2-enoic acid
CID 139730264
(E)-3-[3-[[ethyl(methyl)amino]methyl]phenyl]prop-2-enoic acid
CID 109375421
ethene;5-phenylpenta-2,4-dienoic acid
CID 161205053
3-(3-hex-1-enylphenyl)prop-2-enoic acid
CID 57256540
(E)-3-[3-(propan-2-ylsulfanylmethyl)phenyl]prop-2-enoic acid
CID 109375695

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-(3-ethylphenyl)penta-2,4-dienoic acid?
The IUPAC name of (2E,4E)-5-(3-ethylphenyl)penta-2,4-dienoic acid (CID 22003641) is (2E,4E)-5-(3-ethylphenyl)penta-2,4-dienoic acid.
What is the SMILES notation for (2E,4E)-5-(3-ethylphenyl)penta-2,4-dienoic acid?
The canonical SMILES for (2E,4E)-5-(3-ethylphenyl)penta-2,4-dienoic acid is CCc1cccc(/C=C/C=C/C(=O)O)c1.
What is the InChIKey of (2E,4E)-5-(3-ethylphenyl)penta-2,4-dienoic acid?
The InChIKey is IIWBWOYSKCNBBL-PLPQCDBPSA-N. The full InChI is InChI=1S/C13H14O2/c1-2-11-7-5-8-12(10-11)6-3-4-9-13(14)15/h3-10H,2H2,1H3,(H,14,15)/b6-3+,9-4+.
What are the key properties of (2E,4E)-5-(3-ethylphenyl)penta-2,4-dienoic acid?
(2E,4E)-5-(3-ethylphenyl)penta-2,4-dienoic acid has a molecular weight of 202.25 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-(3-ethylphenyl)penta-2,4-dienoic acid is sourced from PubChem (CID 22003641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).