(2Z,4E)-2,5-diphenylpenta-2,4-dienoic acid

C17H14O2 — CID 6108389

IUPAC(2Z,4E)-2,5-diphenylpenta-2,4-dienoic acid
SMILESO=C(O)/C(=C\C=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C17H14O2/c18-17(19)16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-13H,(H,18,19)/b10-7+,16-13-
InChIKeyKBVJPYCDOSNQRI-SBFJKYRKSA-N
MW250.30 g/mol
LogP3.87
Rot. Bonds4

About (2Z,4E)-2,5-diphenylpenta-2,4-dienoic acid

(2Z,4E)-2,5-diphenylpenta-2,4-dienoic acid (PubChem CID 6108389) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (2Z,4E)-2,5-diphenylpenta-2,4-dienoic acid.

Molecular Properties

Compound Name(2Z,4E)-2,5-diphenylpenta-2,4-dienoic acid
PubChem CID6108389
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name(2Z,4E)-2,5-diphenylpenta-2,4-dienoic acid
SMILESO=C(O)/C(=C\C=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C17H14O2/c18-17(19)16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-13H,(H,18,19)/b10-7+,16-13-
InChIKeyKBVJPYCDOSNQRI-SBFJKYRKSA-N
XLogP3.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.87
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

5-phenyl-2-sulfanylpenta-2,4-dienoic acid
CID 965917
2-hydroxy-5-phenylhexa-2,4-dienedioic acid
CID 71424281
2,5-diphenylpenta-2,4-dienal
CID 173316530
1-(4,4-diphenylbuta-1,3-dienyl)-4-(4-phenylbuta-1,3-dienyl)benzene
CID 173138979
methyl (2E,4E)-5-(4-acetylphenyl)-2-phenylpenta-2,4-dienoate
CID 166438675
[(1Z,3E)-4-phenylhexa-1,3,5-trienyl]benzene
CID 145204139
[(1E,3E)-4-phenylhexa-1,3,5-trienyl]benzene
CID 14747138
ethane-1,2-diol;bis(2-methyl-5-phenylpenta-2,4-dienoic acid)
CID 173388438
4-methylpenta-1,3-dienylbenzene
CID 3614395
1-chloro-4-phenylbuta-1,3-dien-1-ol
CID 88848274
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-2,5-diphenylpenta-2,4-dienoic acid?
The IUPAC name of (2Z,4E)-2,5-diphenylpenta-2,4-dienoic acid (CID 6108389) is (2Z,4E)-2,5-diphenylpenta-2,4-dienoic acid.
What is the SMILES notation for (2Z,4E)-2,5-diphenylpenta-2,4-dienoic acid?
The canonical SMILES for (2Z,4E)-2,5-diphenylpenta-2,4-dienoic acid is O=C(O)/C(=C\C=C\c1ccccc1)c1ccccc1.
What is the InChIKey of (2Z,4E)-2,5-diphenylpenta-2,4-dienoic acid?
The InChIKey is KBVJPYCDOSNQRI-SBFJKYRKSA-N. The full InChI is InChI=1S/C17H14O2/c18-17(19)16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-13H,(H,18,19)/b10-7+,16-13-.
What are the key properties of (2Z,4E)-2,5-diphenylpenta-2,4-dienoic acid?
(2Z,4E)-2,5-diphenylpenta-2,4-dienoic acid has a molecular weight of 250.30 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-2,5-diphenylpenta-2,4-dienoic acid is sourced from PubChem (CID 6108389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).