(3E)-5-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]-2,2-dimethyloxolane

C19H18Cl2O — CID 11325065

IUPAC(3E)-5-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]-2,2-dimethyloxolane
SMILESCC1(C)OC(c2ccc(Cl)cc2)C/C1=C\c1ccc(Cl)cc1
InChIInChI=1S/C19H18Cl2O/c1-19(2)15(11-13-3-7-16(20)8-4-13)12-18(22-19)14-5-9-17(21)10-6-14/h3-11,18H,12H2,1-2H3/b15-11+
InChIKeyDBKDWWCHBKGSLS-RVDMUPIBSA-N
MW333.26 g/mol
LogP6.32
Rot. Bonds2

About (3E)-5-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]-2,2-dimethyloxolane

(3E)-5-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]-2,2-dimethyloxolane (PubChem CID 11325065) has the molecular formula C19H18Cl2O and a molecular weight of 333.26 g/mol. Its IUPAC name is (3E)-5-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]-2,2-dimethyloxolane.

Molecular Properties

Compound Name(3E)-5-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]-2,2-dimethyloxolane
PubChem CID11325065
Molecular FormulaC19H18Cl2O
Molecular Weight333.26 g/mol
Exact Mass332.07
IUPAC Name(3E)-5-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]-2,2-dimethyloxolane
SMILESCC1(C)OC(c2ccc(Cl)cc2)C/C1=C\c1ccc(Cl)cc1
InChIInChI=1S/C19H18Cl2O/c1-19(2)15(11-13-3-7-16(20)8-4-13)12-18(22-19)14-5-9-17(21)10-6-14/h3-11,18H,12H2,1-2H3/b15-11+
InChIKeyDBKDWWCHBKGSLS-RVDMUPIBSA-N
XLogP6.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.26
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3E)-5-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]-2,2-dimethyloxolane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E)-5-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]-2,2-dimethyloxolane?
The IUPAC name of (3E)-5-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]-2,2-dimethyloxolane (CID 11325065) is (3E)-5-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]-2,2-dimethyloxolane.
What is the SMILES notation for (3E)-5-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]-2,2-dimethyloxolane?
The canonical SMILES for (3E)-5-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]-2,2-dimethyloxolane is CC1(C)OC(c2ccc(Cl)cc2)C/C1=C\c1ccc(Cl)cc1.
What is the InChIKey of (3E)-5-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]-2,2-dimethyloxolane?
The InChIKey is DBKDWWCHBKGSLS-RVDMUPIBSA-N. The full InChI is InChI=1S/C19H18Cl2O/c1-19(2)15(11-13-3-7-16(20)8-4-13)12-18(22-19)14-5-9-17(21)10-6-14/h3-11,18H,12H2,1-2H3/b15-11+.
What are the key properties of (3E)-5-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]-2,2-dimethyloxolane?
(3E)-5-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]-2,2-dimethyloxolane has a molecular weight of 333.26 g/mol, XLogP of 6.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]-2,2-dimethyloxolane is sourced from PubChem (CID 11325065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).