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

C19H18O3 — CID 86612192

IUPAC4-ethenylphenol;5-phenylpenta-2,4-dienoic acid
SMILESC=Cc1ccc(O)cc1.O=C(O)C=CC=Cc1ccccc1
InChIInChI=1S/C11H10O2.C8H8O/c12-11(13)9-5-4-8-10-6-2-1-3-7-10;1-2-7-3-5-8(9)6-4-7/h1-9H,(H,12,13);2-6,9H,1H2
InChIKeyGHHSNXCFBOAGKA-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.38
Rot. Bonds4

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

4-ethenylphenol;5-phenylpenta-2,4-dienoic acid (PubChem CID 86612192) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-ethenylphenol;5-phenylpenta-2,4-dienoic acid.

Molecular Properties

Compound Name4-ethenylphenol;5-phenylpenta-2,4-dienoic acid
PubChem CID86612192
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name4-ethenylphenol;5-phenylpenta-2,4-dienoic acid
SMILESC=Cc1ccc(O)cc1.O=C(O)C=CC=Cc1ccccc1
InChIInChI=1S/C11H10O2.C8H8O/c12-11(13)9-5-4-8-10-6-2-1-3-7-10;1-2-7-3-5-8(9)6-4-7/h1-9H,(H,12,13);2-6,9H,1H2
InChIKeyGHHSNXCFBOAGKA-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
H-Bond Donors ≤ 52
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

11-(4-hydroxyphenyl)undeca-2,4,6,8,10-pentaenoic acid
CID 91104661
ethene;5-phenylpenta-2,4-dienoic acid
CID 161205053
5-phenylpenta-2,4-dienoic acid;hydrochloride
CID 173012318
hexa-1,3,5-trienylbenzene;5-phenylpenta-2,4-dienoic acid
CID 87104089
(Z)-but-2-enedioic acid;styrene
CID 67731875
4-oxohepta-2,5-dienedioic acid;phenol;styrene
CID 160597958
buta-1,3-diene;3-phenylprop-2-enoic acid;styrene
CID 158154064
(2E,4E)-5-(4-hydroxyphenyl)-1-phenylpenta-2,4-dien-1-one
CID 134140486
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
(E)-3-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(1,2,3-13C3)prop-2-enoic acid
CID 175665468
phenol;styrene
CID 160675765

Frequently Asked Questions

What is the IUPAC name of 4-ethenylphenol;5-phenylpenta-2,4-dienoic acid?
The IUPAC name of 4-ethenylphenol;5-phenylpenta-2,4-dienoic acid (CID 86612192) is 4-ethenylphenol;5-phenylpenta-2,4-dienoic acid.
What is the SMILES notation for 4-ethenylphenol;5-phenylpenta-2,4-dienoic acid?
The canonical SMILES for 4-ethenylphenol;5-phenylpenta-2,4-dienoic acid is C=Cc1ccc(O)cc1.O=C(O)C=CC=Cc1ccccc1.
What is the InChIKey of 4-ethenylphenol;5-phenylpenta-2,4-dienoic acid?
The InChIKey is GHHSNXCFBOAGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2.C8H8O/c12-11(13)9-5-4-8-10-6-2-1-3-7-10;1-2-7-3-5-8(9)6-4-7/h1-9H,(H,12,13);2-6,9H,1H2.
What are the key properties of 4-ethenylphenol;5-phenylpenta-2,4-dienoic acid?
4-ethenylphenol;5-phenylpenta-2,4-dienoic acid has a molecular weight of 294.35 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylphenol;5-phenylpenta-2,4-dienoic acid is sourced from PubChem (CID 86612192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).