4-hydroxy-5-phenylpenta-2,4-dienoic acid;styrene

C19H18O3 — CID 158962014

IUPAC4-hydroxy-5-phenylpenta-2,4-dienoic acid;styrene
SMILESC=Cc1ccccc1.O=C(O)C=CC(O)=Cc1ccccc1
InChIInChI=1S/C11H10O3.C8H8/c12-10(6-7-11(13)14)8-9-4-2-1-3-5-9;1-2-8-6-4-3-5-7-8/h1-8,12H,(H,13,14);2-7H,1H2
InChIKeyJMSVBDWNFJYQIN-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.56
Rot. Bonds4

About 4-hydroxy-5-phenylpenta-2,4-dienoic acid;styrene

4-hydroxy-5-phenylpenta-2,4-dienoic acid;styrene (PubChem CID 158962014) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-hydroxy-5-phenylpenta-2,4-dienoic acid;styrene.

Molecular Properties

Compound Name4-hydroxy-5-phenylpenta-2,4-dienoic acid;styrene
PubChem CID158962014
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name4-hydroxy-5-phenylpenta-2,4-dienoic acid;styrene
SMILESC=Cc1ccccc1.O=C(O)C=CC(O)=Cc1ccccc1
InChIInChI=1S/C11H10O3.C8H8/c12-10(6-7-11(13)14)8-9-4-2-1-3-5-9;1-2-8-6-4-3-5-7-8/h1-8,12H,(H,13,14);2-7H,1H2
InChIKeyJMSVBDWNFJYQIN-UHFFFAOYSA-N
XLogP4.56
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-phenylpenta-2,4-dienoic acid;styrene?
The IUPAC name of 4-hydroxy-5-phenylpenta-2,4-dienoic acid;styrene (CID 158962014) is 4-hydroxy-5-phenylpenta-2,4-dienoic acid;styrene.
What is the SMILES notation for 4-hydroxy-5-phenylpenta-2,4-dienoic acid;styrene?
The canonical SMILES for 4-hydroxy-5-phenylpenta-2,4-dienoic acid;styrene is C=Cc1ccccc1.O=C(O)C=CC(O)=Cc1ccccc1.
What is the InChIKey of 4-hydroxy-5-phenylpenta-2,4-dienoic acid;styrene?
The InChIKey is JMSVBDWNFJYQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3.C8H8/c12-10(6-7-11(13)14)8-9-4-2-1-3-5-9;1-2-8-6-4-3-5-7-8/h1-8,12H,(H,13,14);2-7H,1H2.
What are the key properties of 4-hydroxy-5-phenylpenta-2,4-dienoic acid;styrene?
4-hydroxy-5-phenylpenta-2,4-dienoic acid;styrene has a molecular weight of 294.35 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-phenylpenta-2,4-dienoic acid;styrene is sourced from PubChem (CID 158962014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).