(2E,4Z)-5-(furan-2-yl)-5-(4-methylphenyl)penta-2,4-dienoic acid

C16H14O3 — CID 87598995

IUPAC(2E,4Z)-5-(furan-2-yl)-5-(4-methylphenyl)penta-2,4-dienoic acid
SMILESCc1ccc(/C(=C/C=C/C(=O)O)c2ccco2)cc1
InChIInChI=1S/C16H14O3/c1-12-7-9-13(10-8-12)14(4-2-6-16(17)18)15-5-3-11-19-15/h2-11H,1H3,(H,17,18)/b6-2+,14-4-
InChIKeyJGEFQPNMHPSKSE-XVFIWTQTSA-N
MW254.29 g/mol
LogP3.66
Rot. Bonds4

About (2E,4Z)-5-(furan-2-yl)-5-(4-methylphenyl)penta-2,4-dienoic acid

(2E,4Z)-5-(furan-2-yl)-5-(4-methylphenyl)penta-2,4-dienoic acid (PubChem CID 87598995) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is (2E,4Z)-5-(furan-2-yl)-5-(4-methylphenyl)penta-2,4-dienoic acid.

Molecular Properties

Compound Name(2E,4Z)-5-(furan-2-yl)-5-(4-methylphenyl)penta-2,4-dienoic acid
PubChem CID87598995
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Name(2E,4Z)-5-(furan-2-yl)-5-(4-methylphenyl)penta-2,4-dienoic acid
SMILESCc1ccc(/C(=C/C=C/C(=O)O)c2ccco2)cc1
InChIInChI=1S/C16H14O3/c1-12-7-9-13(10-8-12)14(4-2-6-16(17)18)15-5-3-11-19-15/h2-11H,1H3,(H,17,18)/b6-2+,14-4-
InChIKeyJGEFQPNMHPSKSE-XVFIWTQTSA-N
XLogP3.66
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(Z)-1-(furan-2-yl)-3-(4-methylphenyl)prop-2-en-1-one
CID 92909359
(Z)-but-2-enedioic acid;furan-2-carboxamide
CID 161348796
(2E)-5,5-bis(4-chlorophenyl)penta-2,4-dienoic acid
CID 14347245
[4-[(Z)-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] furan-2-carboxylate
CID 7285122
N-[1-(4-methylphenyl)ethylideneamino]furan-2-carboxamide
CID 5087593
(E)-5-(furan-2-yl)-5-oxopent-2-enoic acid
CID 20529977
furan-2-carboxylic acid;methanol
CID 70611195
N-[2-(furan-2-yl)-2-(4-methylphenyl)ethenyl]-6-hydroxythieno[3,2-b]thiophene-5-carboxamide
CID 54736787
(Z)-but-2-enedioic acid;toluene;hydrochloride
CID 174592168
1,4-bis[(1E,3E)-1-(4-methylphenyl)-4-phenylbuta-1,3-dienyl]benzene
CID 11730962
(2E,4E)-5-(6-methylnaphthalen-2-yl)hexa-2,4-dienoic acid
CID 116822604
3-fluoro-N-[2-(furan-2-yl)-2-(4-methylphenyl)ethenyl]-6-hydroxythieno[3,2-b]thiophene-5-carboxamide
CID 54729247

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-5-(furan-2-yl)-5-(4-methylphenyl)penta-2,4-dienoic acid?
The IUPAC name of (2E,4Z)-5-(furan-2-yl)-5-(4-methylphenyl)penta-2,4-dienoic acid (CID 87598995) is (2E,4Z)-5-(furan-2-yl)-5-(4-methylphenyl)penta-2,4-dienoic acid.
What is the SMILES notation for (2E,4Z)-5-(furan-2-yl)-5-(4-methylphenyl)penta-2,4-dienoic acid?
The canonical SMILES for (2E,4Z)-5-(furan-2-yl)-5-(4-methylphenyl)penta-2,4-dienoic acid is Cc1ccc(/C(=C/C=C/C(=O)O)c2ccco2)cc1.
What is the InChIKey of (2E,4Z)-5-(furan-2-yl)-5-(4-methylphenyl)penta-2,4-dienoic acid?
The InChIKey is JGEFQPNMHPSKSE-XVFIWTQTSA-N. The full InChI is InChI=1S/C16H14O3/c1-12-7-9-13(10-8-12)14(4-2-6-16(17)18)15-5-3-11-19-15/h2-11H,1H3,(H,17,18)/b6-2+,14-4-.
What are the key properties of (2E,4Z)-5-(furan-2-yl)-5-(4-methylphenyl)penta-2,4-dienoic acid?
(2E,4Z)-5-(furan-2-yl)-5-(4-methylphenyl)penta-2,4-dienoic acid has a molecular weight of 254.29 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-5-(furan-2-yl)-5-(4-methylphenyl)penta-2,4-dienoic acid is sourced from PubChem (CID 87598995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).