phenyl (E)-3-[4-(4-hydroxybenzoyl)phenyl]prop-2-enoate

C22H16O4 — CID 118353282

IUPACphenyl (E)-3-[4-(4-hydroxybenzoyl)phenyl]prop-2-enoate
SMILESO=C(/C=C/c1ccc(C(=O)c2ccc(O)cc2)cc1)Oc1ccccc1
InChIInChI=1S/C22H16O4/c23-19-13-11-18(12-14-19)22(25)17-9-6-16(7-10-17)8-15-21(24)26-20-4-2-1-3-5-20/h1-15,23H/b15-8+
InChIKeyPLIWDRSVUXYUEN-OVCLIPMQSA-N
MW344.37 g/mol
LogP4.24
Rot. Bonds5

About phenyl (E)-3-[4-(4-hydroxybenzoyl)phenyl]prop-2-enoate

phenyl (E)-3-[4-(4-hydroxybenzoyl)phenyl]prop-2-enoate (PubChem CID 118353282) has the molecular formula C22H16O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is phenyl (E)-3-[4-(4-hydroxybenzoyl)phenyl]prop-2-enoate.

Molecular Properties

Compound Namephenyl (E)-3-[4-(4-hydroxybenzoyl)phenyl]prop-2-enoate
PubChem CID118353282
Molecular FormulaC22H16O4
Molecular Weight344.37 g/mol
Exact Mass344.10
IUPAC Namephenyl (E)-3-[4-(4-hydroxybenzoyl)phenyl]prop-2-enoate
SMILESO=C(/C=C/c1ccc(C(=O)c2ccc(O)cc2)cc1)Oc1ccccc1
InChIInChI=1S/C22H16O4/c23-19-13-11-18(12-14-19)22(25)17-9-6-16(7-10-17)8-15-21(24)26-20-4-2-1-3-5-20/h1-15,23H/b15-8+
InChIKeyPLIWDRSVUXYUEN-OVCLIPMQSA-N
XLogP4.24
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-hydroxyphenyl) (E)-3-phenylprop-2-enoate
CID 639941
phenyl 3-[4-(3-oxo-3-phenoxyprop-1-enyl)phenyl]prop-2-enoate
CID 86184537
4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxybenzoic acid
CID 67700859
(4-benzoylphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 43910920
ethane;phenyl 3-phenylprop-2-enoate
CID 90878305
(4-hydroxyphenyl)-phenylmethanone;phenyl hydrogen carbonate
CID 118078754
(4-aminophenyl) (E)-3-[4-[4-[(E)-3-(4-aminophenoxy)-3-oxoprop-1-enyl]benzoyl]phenyl]prop-2-enoate
CID 90399468
(4-fluorophenyl) (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 175109384
(4-hydroxyphenyl) (E)-3-(4-chlorophenyl)prop-2-enoate
CID 118274615
(E)-3-[4-(4-phenoxybenzoyl)phenyl]prop-2-enoic acid
CID 11501077
phenyl (E)-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enoate
CID 89388699
ethane;(4-ethenylphenyl) (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 144902381

Frequently Asked Questions

What is the IUPAC name of phenyl (E)-3-[4-(4-hydroxybenzoyl)phenyl]prop-2-enoate?
The IUPAC name of phenyl (E)-3-[4-(4-hydroxybenzoyl)phenyl]prop-2-enoate (CID 118353282) is phenyl (E)-3-[4-(4-hydroxybenzoyl)phenyl]prop-2-enoate.
What is the SMILES notation for phenyl (E)-3-[4-(4-hydroxybenzoyl)phenyl]prop-2-enoate?
The canonical SMILES for phenyl (E)-3-[4-(4-hydroxybenzoyl)phenyl]prop-2-enoate is O=C(/C=C/c1ccc(C(=O)c2ccc(O)cc2)cc1)Oc1ccccc1.
What is the InChIKey of phenyl (E)-3-[4-(4-hydroxybenzoyl)phenyl]prop-2-enoate?
The InChIKey is PLIWDRSVUXYUEN-OVCLIPMQSA-N. The full InChI is InChI=1S/C22H16O4/c23-19-13-11-18(12-14-19)22(25)17-9-6-16(7-10-17)8-15-21(24)26-20-4-2-1-3-5-20/h1-15,23H/b15-8+.
What are the key properties of phenyl (E)-3-[4-(4-hydroxybenzoyl)phenyl]prop-2-enoate?
phenyl (E)-3-[4-(4-hydroxybenzoyl)phenyl]prop-2-enoate has a molecular weight of 344.37 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (E)-3-[4-(4-hydroxybenzoyl)phenyl]prop-2-enoate is sourced from PubChem (CID 118353282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).