[4-[3-(2-chlorophenyl)prop-2-enoyl]phenyl] 3-phenylprop-2-enoate

C24H17ClO3 — CID 3501825

IUPAC[4-[3-(2-chlorophenyl)prop-2-enoyl]phenyl] 3-phenylprop-2-enoate
SMILESO=C(C=Cc1ccccc1)Oc1ccc(C(=O)C=Cc2ccccc2Cl)cc1
InChIInChI=1S/C24H17ClO3/c25-22-9-5-4-8-19(22)13-16-23(26)20-11-14-21(15-12-20)28-24(27)17-10-18-6-2-1-3-7-18/h1-17H
InChIKeyIRJDPZARLBKCKP-UHFFFAOYSA-N
MW388.85 g/mol
LogP5.85
Rot. Bonds6

About [4-[3-(2-chlorophenyl)prop-2-enoyl]phenyl] 3-phenylprop-2-enoate

[4-[3-(2-chlorophenyl)prop-2-enoyl]phenyl] 3-phenylprop-2-enoate (PubChem CID 3501825) has the molecular formula C24H17ClO3 and a molecular weight of 388.85 g/mol. Its IUPAC name is [4-[3-(2-chlorophenyl)prop-2-enoyl]phenyl] 3-phenylprop-2-enoate.

Molecular Properties

Compound Name[4-[3-(2-chlorophenyl)prop-2-enoyl]phenyl] 3-phenylprop-2-enoate
PubChem CID3501825
Molecular FormulaC24H17ClO3
Molecular Weight388.85 g/mol
Exact Mass388.09
IUPAC Name[4-[3-(2-chlorophenyl)prop-2-enoyl]phenyl] 3-phenylprop-2-enoate
SMILESO=C(C=Cc1ccccc1)Oc1ccc(C(=O)C=Cc2ccccc2Cl)cc1
InChIInChI=1S/C24H17ClO3/c25-22-9-5-4-8-19(22)13-16-23(26)20-11-14-21(15-12-20)28-24(27)17-10-18-6-2-1-3-7-18/h1-17H
InChIKeyIRJDPZARLBKCKP-UHFFFAOYSA-N
XLogP5.85
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.85
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] 3-phenylprop-2-enoate
CID 4105954
[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] (Z)-3-(4-methoxyphenyl)prop-2-enoate
CID 51521387
3-(2-chlorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 5175101
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
2-[4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenoxy]acetamide
CID 52921217
(E)-1-(4-phenoxyphenyl)-3-phenylprop-2-en-1-one
CID 5355679
[3-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
CID 6124036
(4-hydroxyphenyl) (E)-3-phenylprop-2-enoate
CID 639941
ethane;phenyl 3-phenylprop-2-enoate
CID 90878305
phenyl 3-[4-(3-oxo-3-phenoxyprop-1-enyl)phenyl]prop-2-enoate
CID 86184537
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
[3-(3-oxo-3-phenylprop-1-enyl)phenyl] 2-chlorobenzoate
CID 5088603

Frequently Asked Questions

What is the IUPAC name of [4-[3-(2-chlorophenyl)prop-2-enoyl]phenyl] 3-phenylprop-2-enoate?
The IUPAC name of [4-[3-(2-chlorophenyl)prop-2-enoyl]phenyl] 3-phenylprop-2-enoate (CID 3501825) is [4-[3-(2-chlorophenyl)prop-2-enoyl]phenyl] 3-phenylprop-2-enoate.
What is the SMILES notation for [4-[3-(2-chlorophenyl)prop-2-enoyl]phenyl] 3-phenylprop-2-enoate?
The canonical SMILES for [4-[3-(2-chlorophenyl)prop-2-enoyl]phenyl] 3-phenylprop-2-enoate is O=C(C=Cc1ccccc1)Oc1ccc(C(=O)C=Cc2ccccc2Cl)cc1.
What is the InChIKey of [4-[3-(2-chlorophenyl)prop-2-enoyl]phenyl] 3-phenylprop-2-enoate?
The InChIKey is IRJDPZARLBKCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClO3/c25-22-9-5-4-8-19(22)13-16-23(26)20-11-14-21(15-12-20)28-24(27)17-10-18-6-2-1-3-7-18/h1-17H.
What are the key properties of [4-[3-(2-chlorophenyl)prop-2-enoyl]phenyl] 3-phenylprop-2-enoate?
[4-[3-(2-chlorophenyl)prop-2-enoyl]phenyl] 3-phenylprop-2-enoate has a molecular weight of 388.85 g/mol, XLogP of 5.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(2-chlorophenyl)prop-2-enoyl]phenyl] 3-phenylprop-2-enoate is sourced from PubChem (CID 3501825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).