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

C13H14O2 — CID 161205053

IUPACethene;5-phenylpenta-2,4-dienoic acid
SMILESC=C.O=C(O)C=CC=Cc1ccccc1
InChIInChI=1S/C11H10O2.C2H4/c12-11(13)9-5-4-8-10-6-2-1-3-7-10;1-2/h1-9H,(H,12,13);1-2H2
InChIKeyUVMHEXKLEYGWLT-UHFFFAOYSA-N
MW202.25 g/mol
LogP3.14
Rot. Bonds3

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

ethene;5-phenylpenta-2,4-dienoic acid (PubChem CID 161205053) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethene;5-phenylpenta-2,4-dienoic acid.

Molecular Properties

Compound Nameethene;5-phenylpenta-2,4-dienoic acid
PubChem CID161205053
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Nameethene;5-phenylpenta-2,4-dienoic acid
SMILESC=C.O=C(O)C=CC=Cc1ccccc1
InChIInChI=1S/C11H10O2.C2H4/c12-11(13)9-5-4-8-10-6-2-1-3-7-10;1-2/h1-9H,(H,12,13);1-2H2
InChIKeyUVMHEXKLEYGWLT-UHFFFAOYSA-N
XLogP3.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5-phenylpenta-2,4-dienoic acid;hydrochloride
CID 173012318
hexa-1,3,5-trienylbenzene;5-phenylpenta-2,4-dienoic acid
CID 87104089
4-ethenylphenol;5-phenylpenta-2,4-dienoic acid
CID 86612192
(1Z,3Z,6Z,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-one
CID 51568438
(1E,3E,7E,9E)-1,10-diphenyldeca-1,3,7,9-tetraene-5,6-dione
CID 6152775
4,4-dimethylpent-2-enoic acid;5-phenylpenta-2,4-dienoic acid
CID 87778238
3-(4-chlorophenyl)prop-2-enoic acid;5-phenylpenta-2,4-dienoic acid
CID 173256953
7-phenylhepta-1,4,6-trien-3-one
CID 85345780
(Z)-3-phenylprop-2-enoic acid
CID 5372954
5-phenylpenta-2,4-dienoic acid;prop-2-enyl prop-2-enoate
CID 173001061
3-phenylprop-2-enoic acid;hydrofluoride
CID 159150390
3-phenylprop-2-enoic acid;hydrobromide
CID 172826551

Frequently Asked Questions

What is the IUPAC name of ethene;5-phenylpenta-2,4-dienoic acid?
The IUPAC name of ethene;5-phenylpenta-2,4-dienoic acid (CID 161205053) is ethene;5-phenylpenta-2,4-dienoic acid.
What is the SMILES notation for ethene;5-phenylpenta-2,4-dienoic acid?
The canonical SMILES for ethene;5-phenylpenta-2,4-dienoic acid is C=C.O=C(O)C=CC=Cc1ccccc1.
What is the InChIKey of ethene;5-phenylpenta-2,4-dienoic acid?
The InChIKey is UVMHEXKLEYGWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2.C2H4/c12-11(13)9-5-4-8-10-6-2-1-3-7-10;1-2/h1-9H,(H,12,13);1-2H2.
What are the key properties of ethene;5-phenylpenta-2,4-dienoic acid?
ethene;5-phenylpenta-2,4-dienoic acid has a molecular weight of 202.25 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;5-phenylpenta-2,4-dienoic acid is sourced from PubChem (CID 161205053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).