methyl (E)-3-(4-chlorophenyl)-2-[[(E)-3-(4-chlorophenyl)-2-methoxycarbonylprop-2-enoxy]methyl]prop-2-enoate

C22H20Cl2O5 — CID 24874490

IUPACmethyl (E)-3-(4-chlorophenyl)-2-[[(E)-3-(4-chlorophenyl)-2-methoxycarbonylprop-2-enoxy]methyl]prop-2-enoate
SMILESCOC(=O)/C(=C/c1ccc(Cl)cc1)COC/C(=C\c1ccc(Cl)cc1)C(=O)OC
InChIInChI=1S/C22H20Cl2O5/c1-27-21(25)17(11-15-3-7-19(23)8-4-15)13-29-14-18(22(26)28-2)12-16-5-9-20(24)10-6-16/h3-12H,13-14H2,1-2H3/b17-11+,18-12+
InChIKeyDSDXSYBXWATSOK-JYFOCSDGSA-N
MW435.30 g/mol
LogP4.82
Rot. Bonds8

About methyl (E)-3-(4-chlorophenyl)-2-[[(E)-3-(4-chlorophenyl)-2-methoxycarbonylprop-2-enoxy]methyl]prop-2-enoate

methyl (E)-3-(4-chlorophenyl)-2-[[(E)-3-(4-chlorophenyl)-2-methoxycarbonylprop-2-enoxy]methyl]prop-2-enoate (PubChem CID 24874490) has the molecular formula C22H20Cl2O5 and a molecular weight of 435.30 g/mol. Its IUPAC name is methyl (E)-3-(4-chlorophenyl)-2-[[(E)-3-(4-chlorophenyl)-2-methoxycarbonylprop-2-enoxy]methyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(4-chlorophenyl)-2-[[(E)-3-(4-chlorophenyl)-2-methoxycarbonylprop-2-enoxy]methyl]prop-2-enoate
PubChem CID24874490
Molecular FormulaC22H20Cl2O5
Molecular Weight435.30 g/mol
Exact Mass434.07
IUPAC Namemethyl (E)-3-(4-chlorophenyl)-2-[[(E)-3-(4-chlorophenyl)-2-methoxycarbonylprop-2-enoxy]methyl]prop-2-enoate
SMILESCOC(=O)/C(=C/c1ccc(Cl)cc1)COC/C(=C\c1ccc(Cl)cc1)C(=O)OC
InChIInChI=1S/C22H20Cl2O5/c1-27-21(25)17(11-15-3-7-19(23)8-4-15)13-29-14-18(22(26)28-2)12-16-5-9-20(24)10-6-16/h3-12H,13-14H2,1-2H3/b17-11+,18-12+
InChIKeyDSDXSYBXWATSOK-JYFOCSDGSA-N
XLogP4.82
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.30
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (E)-3-(4-chlorophenyl)-2-[[(E)-3-(4-chlorophenyl)-2-methoxycarbonylprop-2-enoxy]methyl]prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (Z)-2-benzyl-3-(4-chlorophenyl)prop-2-enoate
CID 134980752
methyl (Z)-3-(4-chlorophenyl)-2-(piperidin-1-ylmethyl)prop-2-enoate
CID 5476455
methyl (E)-3-(4-chlorophenyl)-2-[[2-[(E)-hydroxyiminomethyl]phenoxy]methyl]prop-2-enoate
CID 139082024
methyl (Z)-2-[(4-bromophenyl)sulfonylmethyl]-3-(4-chlorophenyl)prop-2-enoate
CID 71567048
methyl (E)-2-(acetyloxymethyl)-3-(4-methylphenyl)prop-2-enoate
CID 15526246
diethyl 2-[(4-chlorophenyl)methylidene]butanedioate
CID 85409409
ethyl 2-[(4-chlorophenyl)methylidene]butanoate
CID 67451347
methyl (E)-2-(acetyloxymethyl)-3-(4-bromophenyl)prop-2-enoate
CID 42611572
methyl (E)-2-(acetyloxymethyl)-3-phenylprop-2-enoate
CID 10889836
(Z)-3-(chloromethyl)-4-(4-chlorophenyl)but-3-en-2-one
CID 11458843
methyl (Z)-3-(4-methylphenyl)-2-(sulfanylmethyl)prop-2-enoate
CID 42598287
methyl (E)-4-(4-chlorophenyl)-2-oxobut-3-enoate
CID 11736256

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(4-chlorophenyl)-2-[[(E)-3-(4-chlorophenyl)-2-methoxycarbonylprop-2-enoxy]methyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-(4-chlorophenyl)-2-[[(E)-3-(4-chlorophenyl)-2-methoxycarbonylprop-2-enoxy]methyl]prop-2-enoate (CID 24874490) is methyl (E)-3-(4-chlorophenyl)-2-[[(E)-3-(4-chlorophenyl)-2-methoxycarbonylprop-2-enoxy]methyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(4-chlorophenyl)-2-[[(E)-3-(4-chlorophenyl)-2-methoxycarbonylprop-2-enoxy]methyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-(4-chlorophenyl)-2-[[(E)-3-(4-chlorophenyl)-2-methoxycarbonylprop-2-enoxy]methyl]prop-2-enoate is COC(=O)/C(=C/c1ccc(Cl)cc1)COC/C(=C\c1ccc(Cl)cc1)C(=O)OC.
What is the InChIKey of methyl (E)-3-(4-chlorophenyl)-2-[[(E)-3-(4-chlorophenyl)-2-methoxycarbonylprop-2-enoxy]methyl]prop-2-enoate?
The InChIKey is DSDXSYBXWATSOK-JYFOCSDGSA-N. The full InChI is InChI=1S/C22H20Cl2O5/c1-27-21(25)17(11-15-3-7-19(23)8-4-15)13-29-14-18(22(26)28-2)12-16-5-9-20(24)10-6-16/h3-12H,13-14H2,1-2H3/b17-11+,18-12+.
What are the key properties of methyl (E)-3-(4-chlorophenyl)-2-[[(E)-3-(4-chlorophenyl)-2-methoxycarbonylprop-2-enoxy]methyl]prop-2-enoate?
methyl (E)-3-(4-chlorophenyl)-2-[[(E)-3-(4-chlorophenyl)-2-methoxycarbonylprop-2-enoxy]methyl]prop-2-enoate has a molecular weight of 435.30 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(4-chlorophenyl)-2-[[(E)-3-(4-chlorophenyl)-2-methoxycarbonylprop-2-enoxy]methyl]prop-2-enoate is sourced from PubChem (CID 24874490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).