2-[(Z)-2-(3-chlorophenyl)-2-phenylethenyl]-1,4-dioxane

C18H17ClO2 — CID 162406838

IUPAC2-[(Z)-2-(3-chlorophenyl)-2-phenylethenyl]-1,4-dioxane
SMILESClc1cccc(/C(=C\C2COCCO2)c2ccccc2)c1
InChIInChI=1S/C18H17ClO2/c19-16-8-4-7-15(11-16)18(14-5-2-1-3-6-14)12-17-13-20-9-10-21-17/h1-8,11-12,17H,9-10,13H2/b18-12-
InChIKeyXFNGNHMPKNMIGK-PDGQHHTCSA-N
MW300.78 g/mol
LogP4.19
Rot. Bonds3

About 2-[(Z)-2-(3-chlorophenyl)-2-phenylethenyl]-1,4-dioxane

2-[(Z)-2-(3-chlorophenyl)-2-phenylethenyl]-1,4-dioxane (PubChem CID 162406838) has the molecular formula C18H17ClO2 and a molecular weight of 300.78 g/mol. Its IUPAC name is 2-[(Z)-2-(3-chlorophenyl)-2-phenylethenyl]-1,4-dioxane.

Molecular Properties

Compound Name2-[(Z)-2-(3-chlorophenyl)-2-phenylethenyl]-1,4-dioxane
PubChem CID162406838
Molecular FormulaC18H17ClO2
Molecular Weight300.78 g/mol
Exact Mass300.09
IUPAC Name2-[(Z)-2-(3-chlorophenyl)-2-phenylethenyl]-1,4-dioxane
SMILESClc1cccc(/C(=C\C2COCCO2)c2ccccc2)c1
InChIInChI=1S/C18H17ClO2/c19-16-8-4-7-15(11-16)18(14-5-2-1-3-6-14)12-17-13-20-9-10-21-17/h1-8,11-12,17H,9-10,13H2/b18-12-
InChIKeyXFNGNHMPKNMIGK-PDGQHHTCSA-N
XLogP4.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.78
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(Z)-2-(3-chlorophenyl)-2-phenylethenyl]-1,4-dioxane 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

(3-chlorophenyl)-(oxan-3-yl)methanone
CID 65332391
2-(3-chlorophenyl)-1-(1,4-dioxan-2-yl)ethanol
CID 65350697
(3-chlorophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone
CID 24726718
3-(2,2-diphenylethenyl)-4-methyloxolane
CID 11414404
benzoic acid;3-chlorobenzoic acid
CID 162034638
2-[(E)-2-(2-methylphenyl)ethenyl]-1,4-dioxane
CID 162408658
N-[(3-chlorophenyl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 60961630
1-(3-chlorophenyl)-2-(oxolan-3-ylmethoxy)ethanone
CID 54976813
tetrakis(3-chlorobenzoic acid);bis(rhodium)
CID 11967271
(3aS,7aS)-2-(3-chlorobenzoyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120627301
3-chloro-4-(2,2-diphenylethenyl)-3,6-dihydro-2H-pyran
CID 135013023
methyl 4-(3-chlorobenzoyl)morpholine-3-carboxylate
CID 113247579

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(3-chlorophenyl)-2-phenylethenyl]-1,4-dioxane?
The IUPAC name of 2-[(Z)-2-(3-chlorophenyl)-2-phenylethenyl]-1,4-dioxane (CID 162406838) is 2-[(Z)-2-(3-chlorophenyl)-2-phenylethenyl]-1,4-dioxane.
What is the SMILES notation for 2-[(Z)-2-(3-chlorophenyl)-2-phenylethenyl]-1,4-dioxane?
The canonical SMILES for 2-[(Z)-2-(3-chlorophenyl)-2-phenylethenyl]-1,4-dioxane is Clc1cccc(/C(=C\C2COCCO2)c2ccccc2)c1.
What is the InChIKey of 2-[(Z)-2-(3-chlorophenyl)-2-phenylethenyl]-1,4-dioxane?
The InChIKey is XFNGNHMPKNMIGK-PDGQHHTCSA-N. The full InChI is InChI=1S/C18H17ClO2/c19-16-8-4-7-15(11-16)18(14-5-2-1-3-6-14)12-17-13-20-9-10-21-17/h1-8,11-12,17H,9-10,13H2/b18-12-.
What are the key properties of 2-[(Z)-2-(3-chlorophenyl)-2-phenylethenyl]-1,4-dioxane?
2-[(Z)-2-(3-chlorophenyl)-2-phenylethenyl]-1,4-dioxane has a molecular weight of 300.78 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(3-chlorophenyl)-2-phenylethenyl]-1,4-dioxane is sourced from PubChem (CID 162406838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).