(2,4-dichlorophenyl) 3-(4-methoxyphenyl)prop-2-enoate

C16H12Cl2O3 — CID 774847

IUPAC(2,4-dichlorophenyl) 3-(4-methoxyphenyl)prop-2-enoate
SMILESCOc1ccc(C=CC(=O)Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H12Cl2O3/c1-20-13-6-2-11(3-7-13)4-9-16(19)21-15-8-5-12(17)10-14(15)18/h2-10H,1H3
InChIKeyMHISMUZYNBFYBI-UHFFFAOYSA-N
MW323.18 g/mol
LogP4.62
Rot. Bonds4

About (2,4-dichlorophenyl) 3-(4-methoxyphenyl)prop-2-enoate

(2,4-dichlorophenyl) 3-(4-methoxyphenyl)prop-2-enoate (PubChem CID 774847) has the molecular formula C16H12Cl2O3 and a molecular weight of 323.18 g/mol. Its IUPAC name is (2,4-dichlorophenyl) 3-(4-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(2,4-dichlorophenyl) 3-(4-methoxyphenyl)prop-2-enoate
PubChem CID774847
Molecular FormulaC16H12Cl2O3
Molecular Weight323.18 g/mol
Exact Mass322.02
IUPAC Name(2,4-dichlorophenyl) 3-(4-methoxyphenyl)prop-2-enoate
SMILESCOc1ccc(C=CC(=O)Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H12Cl2O3/c1-20-13-6-2-11(3-7-13)4-9-16(19)21-15-8-5-12(17)10-14(15)18/h2-10H,1H3
InChIKeyMHISMUZYNBFYBI-UHFFFAOYSA-N
XLogP4.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 54.62
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

(2,4-dichlorophenyl) 3-(4-fluorophenyl)prop-2-enoate
CID 918157
(4-methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 774853
[3-iodo-4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxyphenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 144703857
(2,5-dimethylphenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 918141
1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 78574899
(4-chloro-3,5-dimethylphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 917991
[4-[(2,5-dichlorophenyl)carbamoyl]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 19181724
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 152820667
(4-chloro-2-methylphenyl) 3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 720791
(4-chloro-2-methylphenyl) 3-(4-ethoxyphenyl)prop-2-enoate
CID 731144
naphthalen-2-yl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 886279
N-(5-chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 881730

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl) 3-(4-methoxyphenyl)prop-2-enoate?
The IUPAC name of (2,4-dichlorophenyl) 3-(4-methoxyphenyl)prop-2-enoate (CID 774847) is (2,4-dichlorophenyl) 3-(4-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for (2,4-dichlorophenyl) 3-(4-methoxyphenyl)prop-2-enoate?
The canonical SMILES for (2,4-dichlorophenyl) 3-(4-methoxyphenyl)prop-2-enoate is COc1ccc(C=CC(=O)Oc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of (2,4-dichlorophenyl) 3-(4-methoxyphenyl)prop-2-enoate?
The InChIKey is MHISMUZYNBFYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2O3/c1-20-13-6-2-11(3-7-13)4-9-16(19)21-15-8-5-12(17)10-14(15)18/h2-10H,1H3.
What are the key properties of (2,4-dichlorophenyl) 3-(4-methoxyphenyl)prop-2-enoate?
(2,4-dichlorophenyl) 3-(4-methoxyphenyl)prop-2-enoate has a molecular weight of 323.18 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl) 3-(4-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 774847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).