phenyl 3-[4-(3-oxo-3-phenoxyprop-1-enyl)phenyl]prop-2-enoate

C24H18O4 — CID 86184537

IUPACphenyl 3-[4-(3-oxo-3-phenoxyprop-1-enyl)phenyl]prop-2-enoate
SMILESO=C(C=Cc1ccc(C=CC(=O)Oc2ccccc2)cc1)Oc1ccccc1
InChIInChI=1S/C24H18O4/c25-23(27-21-7-3-1-4-8-21)17-15-19-11-13-20(14-12-19)16-18-24(26)28-22-9-5-2-6-10-22/h1-18H
InChIKeyYNSXPGUHCJSQPO-UHFFFAOYSA-N
MW370.40 g/mol
LogP4.92
Rot. Bonds6

About phenyl 3-[4-(3-oxo-3-phenoxyprop-1-enyl)phenyl]prop-2-enoate

phenyl 3-[4-(3-oxo-3-phenoxyprop-1-enyl)phenyl]prop-2-enoate (PubChem CID 86184537) has the molecular formula C24H18O4 and a molecular weight of 370.40 g/mol. Its IUPAC name is phenyl 3-[4-(3-oxo-3-phenoxyprop-1-enyl)phenyl]prop-2-enoate.

Molecular Properties

Compound Namephenyl 3-[4-(3-oxo-3-phenoxyprop-1-enyl)phenyl]prop-2-enoate
PubChem CID86184537
Molecular FormulaC24H18O4
Molecular Weight370.40 g/mol
Exact Mass370.12
IUPAC Namephenyl 3-[4-(3-oxo-3-phenoxyprop-1-enyl)phenyl]prop-2-enoate
SMILESO=C(C=Cc1ccc(C=CC(=O)Oc2ccccc2)cc1)Oc1ccccc1
InChIInChI=1S/C24H18O4/c25-23(27-21-7-3-1-4-8-21)17-15-19-11-13-20(14-12-19)16-18-24(26)28-22-9-5-2-6-10-22/h1-18H
InChIKeyYNSXPGUHCJSQPO-UHFFFAOYSA-N
XLogP4.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 54.92
H-Bond Donors ≤ 50
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

ethane;phenyl 3-phenylprop-2-enoate
CID 90878305
phenyl (E)-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enoate
CID 89388699
[3,5-bis[[(E)-3-phenylprop-2-enoyl]oxy]phenyl] (E)-3-phenylprop-2-enoate
CID 59860900
[4-[(E)-3-oxobut-1-enyl]phenyl] (Z)-3-phenylprop-2-enoate
CID 92529146
phenyl (E)-3-(4-nitrophenyl)prop-2-enoate
CID 8765455
phenyl (E)-3-[4-(4-hydroxybenzoyl)phenyl]prop-2-enoate
CID 118353282
(4-hydroxyphenyl) (E)-3-phenylprop-2-enoate
CID 639941
(4-aminophenyl) (E)-3-phenylprop-2-enoate
CID 87778224
(4-bromophenyl) 3-phenylprop-2-enoate
CID 759220
(4-phenylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 6275541
(4-methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 774853
[4-(bromomethyl)phenyl] 3-phenylprop-2-enoate
CID 67745574

Frequently Asked Questions

What is the IUPAC name of phenyl 3-[4-(3-oxo-3-phenoxyprop-1-enyl)phenyl]prop-2-enoate?
The IUPAC name of phenyl 3-[4-(3-oxo-3-phenoxyprop-1-enyl)phenyl]prop-2-enoate (CID 86184537) is phenyl 3-[4-(3-oxo-3-phenoxyprop-1-enyl)phenyl]prop-2-enoate.
What is the SMILES notation for phenyl 3-[4-(3-oxo-3-phenoxyprop-1-enyl)phenyl]prop-2-enoate?
The canonical SMILES for phenyl 3-[4-(3-oxo-3-phenoxyprop-1-enyl)phenyl]prop-2-enoate is O=C(C=Cc1ccc(C=CC(=O)Oc2ccccc2)cc1)Oc1ccccc1.
What is the InChIKey of phenyl 3-[4-(3-oxo-3-phenoxyprop-1-enyl)phenyl]prop-2-enoate?
The InChIKey is YNSXPGUHCJSQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O4/c25-23(27-21-7-3-1-4-8-21)17-15-19-11-13-20(14-12-19)16-18-24(26)28-22-9-5-2-6-10-22/h1-18H.
What are the key properties of phenyl 3-[4-(3-oxo-3-phenoxyprop-1-enyl)phenyl]prop-2-enoate?
phenyl 3-[4-(3-oxo-3-phenoxyprop-1-enyl)phenyl]prop-2-enoate has a molecular weight of 370.40 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 3-[4-(3-oxo-3-phenoxyprop-1-enyl)phenyl]prop-2-enoate is sourced from PubChem (CID 86184537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).