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

C16H11Cl2O3- — CID 19421550

IUPAC(Z)-3-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enoate
SMILESCOc1ccc(/C(=C/C(=O)[O-])c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H12Cl2O3/c1-21-12-5-2-10(3-6-12)14(9-16(19)20)13-7-4-11(17)8-15(13)18/h2-9H,1H3,(H,19,20)/p-1/b14-9-
InChIKeyRDXQHKPJLANGPG-ZROIWOOFSA-M
MW322.17 g/mol
LogP3.18
Rot. Bonds4

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

(Z)-3-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enoate (PubChem CID 19421550) has the molecular formula C16H11Cl2O3- and a molecular weight of 322.17 g/mol. Its IUPAC name is (Z)-3-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(Z)-3-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enoate
PubChem CID19421550
Molecular FormulaC16H11Cl2O3-
Molecular Weight322.17 g/mol
Exact Mass321.01
IUPAC Name(Z)-3-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enoate
SMILESCOc1ccc(/C(=C/C(=O)[O-])c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H12Cl2O3/c1-21-12-5-2-10(3-6-12)14(9-16(19)20)13-7-4-11(17)8-15(13)18/h2-9H,1H3,(H,19,20)/p-1/b14-9-
InChIKeyRDXQHKPJLANGPG-ZROIWOOFSA-M
XLogP3.18
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.17
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enoate?
The IUPAC name of (Z)-3-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enoate (CID 19421550) is (Z)-3-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for (Z)-3-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enoate?
The canonical SMILES for (Z)-3-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enoate is COc1ccc(/C(=C/C(=O)[O-])c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of (Z)-3-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enoate?
The InChIKey is RDXQHKPJLANGPG-ZROIWOOFSA-M. The full InChI is InChI=1S/C16H12Cl2O3/c1-21-12-5-2-10(3-6-12)14(9-16(19)20)13-7-4-11(17)8-15(13)18/h2-9H,1H3,(H,19,20)/p-1/b14-9-.
What are the key properties of (Z)-3-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enoate?
(Z)-3-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enoate has a molecular weight of 322.17 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 19421550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).