(3,4-dichlorophenyl) (E)-3-(3-chlorophenyl)prop-2-enoate

C15H9Cl3O2 — CID 7959568

IUPAC(3,4-dichlorophenyl) (E)-3-(3-chlorophenyl)prop-2-enoate
SMILESO=C(/C=C/c1cccc(Cl)c1)Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H9Cl3O2/c16-11-3-1-2-10(8-11)4-7-15(19)20-12-5-6-13(17)14(18)9-12/h1-9H/b7-4+
InChIKeyRZNLHOGUXUFVMQ-QPJJXVBHSA-N
MW327.59 g/mol
LogP5.27
Rot. Bonds3

About (3,4-dichlorophenyl) (E)-3-(3-chlorophenyl)prop-2-enoate

(3,4-dichlorophenyl) (E)-3-(3-chlorophenyl)prop-2-enoate (PubChem CID 7959568) has the molecular formula C15H9Cl3O2 and a molecular weight of 327.59 g/mol. Its IUPAC name is (3,4-dichlorophenyl) (E)-3-(3-chlorophenyl)prop-2-enoate.

Molecular Properties

Compound Name(3,4-dichlorophenyl) (E)-3-(3-chlorophenyl)prop-2-enoate
PubChem CID7959568
Molecular FormulaC15H9Cl3O2
Molecular Weight327.59 g/mol
Exact Mass325.97
IUPAC Name(3,4-dichlorophenyl) (E)-3-(3-chlorophenyl)prop-2-enoate
SMILESO=C(/C=C/c1cccc(Cl)c1)Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H9Cl3O2/c16-11-3-1-2-10(8-11)4-7-15(19)20-12-5-6-13(17)14(18)9-12/h1-9H/b7-4+
InChIKeyRZNLHOGUXUFVMQ-QPJJXVBHSA-N
XLogP5.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.59
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(3-chloro-4-methylphenyl) (E)-3-phenylprop-2-enoate
CID 23010742
(3,4-dichlorophenyl) (E)-but-2-enoate
CID 12664415
3-(3-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 3527229
(3-formylphenyl) (E)-3-(4-chlorophenyl)prop-2-enoate
CID 39199925
1-O-(3-chlorophenyl) 4-O-(2,4-dichlorophenyl) (E)-but-2-enedioate
CID 91734070
1-O-(3-chlorophenyl) 4-O-(2,5-dichlorophenyl) (E)-but-2-enedioate
CID 91734075
(3,4-dichlorophenyl) 3-methylbut-2-enoate
CID 532360
[(2S)-1-(3-chlorophenyl)-1-oxopropan-2-yl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate
CID 2479775
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (E)-3-(3-chlorophenyl)prop-2-enoate
CID 7787225
3-phenylprop-2-ynyl (E)-3-(3-chlorophenyl)prop-2-enoate
CID 52666175
[4-[(E)-3-(3-chlorophenyl)prop-2-enoyl]phenyl] 2,2-dimethylpropanoate
CID 6141383
(2,4-dichlorophenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 774847

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl) (E)-3-(3-chlorophenyl)prop-2-enoate?
The IUPAC name of (3,4-dichlorophenyl) (E)-3-(3-chlorophenyl)prop-2-enoate (CID 7959568) is (3,4-dichlorophenyl) (E)-3-(3-chlorophenyl)prop-2-enoate.
What is the SMILES notation for (3,4-dichlorophenyl) (E)-3-(3-chlorophenyl)prop-2-enoate?
The canonical SMILES for (3,4-dichlorophenyl) (E)-3-(3-chlorophenyl)prop-2-enoate is O=C(/C=C/c1cccc(Cl)c1)Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl) (E)-3-(3-chlorophenyl)prop-2-enoate?
The InChIKey is RZNLHOGUXUFVMQ-QPJJXVBHSA-N. The full InChI is InChI=1S/C15H9Cl3O2/c16-11-3-1-2-10(8-11)4-7-15(19)20-12-5-6-13(17)14(18)9-12/h1-9H/b7-4+.
What are the key properties of (3,4-dichlorophenyl) (E)-3-(3-chlorophenyl)prop-2-enoate?
(3,4-dichlorophenyl) (E)-3-(3-chlorophenyl)prop-2-enoate has a molecular weight of 327.59 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl) (E)-3-(3-chlorophenyl)prop-2-enoate is sourced from PubChem (CID 7959568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).