5-phenylpenta-2,4-dienoic acid;hydrochloride

C11H11ClO2 — CID 173012318

IUPAC5-phenylpenta-2,4-dienoic acid;hydrochloride
SMILESCl.O=C(O)C=CC=Cc1ccccc1
InChIInChI=1S/C11H10O2.ClH/c12-11(13)9-5-4-8-10-6-2-1-3-7-10;/h1-9H,(H,12,13);1H
InChIKeyQUKPTJTVKZAXMA-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.76
Rot. Bonds3

About 5-phenylpenta-2,4-dienoic acid;hydrochloride

5-phenylpenta-2,4-dienoic acid;hydrochloride (PubChem CID 173012318) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is 5-phenylpenta-2,4-dienoic acid;hydrochloride.

Molecular Properties

Compound Name5-phenylpenta-2,4-dienoic acid;hydrochloride
PubChem CID173012318
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name5-phenylpenta-2,4-dienoic acid;hydrochloride
SMILESCl.O=C(O)C=CC=Cc1ccccc1
InChIInChI=1S/C11H10O2.ClH/c12-11(13)9-5-4-8-10-6-2-1-3-7-10;/h1-9H,(H,12,13);1H
InChIKeyQUKPTJTVKZAXMA-UHFFFAOYSA-N
XLogP2.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.76
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

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(1Z,3Z,6Z,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-one
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(1E,3E,7E,9E)-1,10-diphenyldeca-1,3,7,9-tetraene-5,6-dione
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4,4-dimethylpent-2-enoic acid;5-phenylpenta-2,4-dienoic acid
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3-(4-chlorophenyl)prop-2-enoic acid;5-phenylpenta-2,4-dienoic acid
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(Z)-3-phenylprop-2-enoic acid
CID 5372954
4-ethenylphenol;5-phenylpenta-2,4-dienoic acid
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3-phenylprop-2-enoic acid;hydrofluoride
CID 159150390
bis((E)-3-phenylprop-2-enoic acid);zinc
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CID 131855579
CID 131855579

Frequently Asked Questions

What is the IUPAC name of 5-phenylpenta-2,4-dienoic acid;hydrochloride?
The IUPAC name of 5-phenylpenta-2,4-dienoic acid;hydrochloride (CID 173012318) is 5-phenylpenta-2,4-dienoic acid;hydrochloride.
What is the SMILES notation for 5-phenylpenta-2,4-dienoic acid;hydrochloride?
The canonical SMILES for 5-phenylpenta-2,4-dienoic acid;hydrochloride is Cl.O=C(O)C=CC=Cc1ccccc1.
What is the InChIKey of 5-phenylpenta-2,4-dienoic acid;hydrochloride?
The InChIKey is QUKPTJTVKZAXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2.ClH/c12-11(13)9-5-4-8-10-6-2-1-3-7-10;/h1-9H,(H,12,13);1H.
What are the key properties of 5-phenylpenta-2,4-dienoic acid;hydrochloride?
5-phenylpenta-2,4-dienoic acid;hydrochloride has a molecular weight of 210.66 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylpenta-2,4-dienoic acid;hydrochloride is sourced from PubChem (CID 173012318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).