1-[3,3-bis[4-(4-chlorophenyl)phenyl]-2-ethoxyprop-2-enoxy]-3-methylbenzene

C36H30Cl2O2 — CID 141085805

IUPAC1-[3,3-bis[4-(4-chlorophenyl)phenyl]-2-ethoxyprop-2-enoxy]-3-methylbenzene
SMILESCCOC(COc1cccc(C)c1)=C(c1ccc(-c2ccc(Cl)cc2)cc1)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C36H30Cl2O2/c1-3-39-35(24-40-34-6-4-5-25(2)23-34)36(30-11-7-26(8-12-30)28-15-19-32(37)20-16-28)31-13-9-27(10-14-31)29-17-21-33(38)22-18-29/h4-23H,3,24H2,1-2H3
InChIKeyUXFPSUWJLBYEMF-UHFFFAOYSA-N
MW565.54 g/mol
LogP10.51
Rot. Bonds9

About 1-[3,3-bis[4-(4-chlorophenyl)phenyl]-2-ethoxyprop-2-enoxy]-3-methylbenzene

1-[3,3-bis[4-(4-chlorophenyl)phenyl]-2-ethoxyprop-2-enoxy]-3-methylbenzene (PubChem CID 141085805) has the molecular formula C36H30Cl2O2 and a molecular weight of 565.54 g/mol. Its IUPAC name is 1-[3,3-bis[4-(4-chlorophenyl)phenyl]-2-ethoxyprop-2-enoxy]-3-methylbenzene.

Molecular Properties

Compound Name1-[3,3-bis[4-(4-chlorophenyl)phenyl]-2-ethoxyprop-2-enoxy]-3-methylbenzene
PubChem CID141085805
Molecular FormulaC36H30Cl2O2
Molecular Weight565.54 g/mol
Exact Mass564.16
IUPAC Name1-[3,3-bis[4-(4-chlorophenyl)phenyl]-2-ethoxyprop-2-enoxy]-3-methylbenzene
SMILESCCOC(COc1cccc(C)c1)=C(c1ccc(-c2ccc(Cl)cc2)cc1)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C36H30Cl2O2/c1-3-39-35(24-40-34-6-4-5-25(2)23-34)36(30-11-7-26(8-12-30)28-15-19-32(37)20-16-28)31-13-9-27(10-14-31)29-17-21-33(38)22-18-29/h4-23H,3,24H2,1-2H3
InChIKeyUXFPSUWJLBYEMF-UHFFFAOYSA-N
XLogP10.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.54
LogP ≤ 510.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-[3,3-bis[4-(4-chlorophenyl)phenyl]-2-ethoxyprop-2-enoxy]-3-methylbenzene 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

[[amino-(4-chlorophenyl)methylidene]amino] 2-(3-methylphenoxy)acetate
CID 2885323
ethane;1-ethoxy-3-methylbenzene;methanol
CID 142994688
butane;1-chloro-4-(3-methylphenyl)benzene
CID 143529938
1-bromo-4-[1-(4-chlorophenyl)-3-(3-methylphenoxy)prop-1-enyl]benzene
CID 141177295
ethyl 2-[methyl-[2-(3-methylphenoxy)acetyl]amino]acetate
CID 54785206
1-(3-methylphenoxy)butan-2-one
CID 19100291
5-(4-chlorophenyl)-N'-[2-(3-methylphenoxy)acetyl]furan-2-carbohydrazide
CID 24502806
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 2594688
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 8751664
ethyl 4-[2-(3-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 892980
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 8910326
propyl 2-(3-methylphenoxy)acetate
CID 78907736

Frequently Asked Questions

What is the IUPAC name of 1-[3,3-bis[4-(4-chlorophenyl)phenyl]-2-ethoxyprop-2-enoxy]-3-methylbenzene?
The IUPAC name of 1-[3,3-bis[4-(4-chlorophenyl)phenyl]-2-ethoxyprop-2-enoxy]-3-methylbenzene (CID 141085805) is 1-[3,3-bis[4-(4-chlorophenyl)phenyl]-2-ethoxyprop-2-enoxy]-3-methylbenzene.
What is the SMILES notation for 1-[3,3-bis[4-(4-chlorophenyl)phenyl]-2-ethoxyprop-2-enoxy]-3-methylbenzene?
The canonical SMILES for 1-[3,3-bis[4-(4-chlorophenyl)phenyl]-2-ethoxyprop-2-enoxy]-3-methylbenzene is CCOC(COc1cccc(C)c1)=C(c1ccc(-c2ccc(Cl)cc2)cc1)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[3,3-bis[4-(4-chlorophenyl)phenyl]-2-ethoxyprop-2-enoxy]-3-methylbenzene?
The InChIKey is UXFPSUWJLBYEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30Cl2O2/c1-3-39-35(24-40-34-6-4-5-25(2)23-34)36(30-11-7-26(8-12-30)28-15-19-32(37)20-16-28)31-13-9-27(10-14-31)29-17-21-33(38)22-18-29/h4-23H,3,24H2,1-2H3.
What are the key properties of 1-[3,3-bis[4-(4-chlorophenyl)phenyl]-2-ethoxyprop-2-enoxy]-3-methylbenzene?
1-[3,3-bis[4-(4-chlorophenyl)phenyl]-2-ethoxyprop-2-enoxy]-3-methylbenzene has a molecular weight of 565.54 g/mol, XLogP of 10.51, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3-bis[4-(4-chlorophenyl)phenyl]-2-ethoxyprop-2-enoxy]-3-methylbenzene is sourced from PubChem (CID 141085805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).