1-chloro-4-[2-chloroethoxy(phenyl)methyl]benzene

C15H14Cl2O — CID 12570310

IUPAC1-chloro-4-[2-chloroethoxy(phenyl)methyl]benzene
SMILESClCCOC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14Cl2O/c16-10-11-18-15(12-4-2-1-3-5-12)13-6-8-14(17)9-7-13/h1-9,15H,10-11H2
InChIKeyDCEIKCWSGSANLA-UHFFFAOYSA-N
MW281.18 g/mol
LogP4.68
Rot. Bonds5

About 1-chloro-4-[2-chloroethoxy(phenyl)methyl]benzene

1-chloro-4-[2-chloroethoxy(phenyl)methyl]benzene (PubChem CID 12570310) has the molecular formula C15H14Cl2O and a molecular weight of 281.18 g/mol. Its IUPAC name is 1-chloro-4-[2-chloroethoxy(phenyl)methyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[2-chloroethoxy(phenyl)methyl]benzene
PubChem CID12570310
Molecular FormulaC15H14Cl2O
Molecular Weight281.18 g/mol
Exact Mass280.04
IUPAC Name1-chloro-4-[2-chloroethoxy(phenyl)methyl]benzene
SMILESClCCOC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14Cl2O/c16-10-11-18-15(12-4-2-1-3-5-12)13-6-8-14(17)9-7-13/h1-9,15H,10-11H2
InChIKeyDCEIKCWSGSANLA-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-chloro-4-[2-chloroethoxy(phenyl)methyl]benzene 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 1-chloro-4-[2-chloroethoxy(phenyl)methyl]benzene?
The IUPAC name of 1-chloro-4-[2-chloroethoxy(phenyl)methyl]benzene (CID 12570310) is 1-chloro-4-[2-chloroethoxy(phenyl)methyl]benzene.
What is the SMILES notation for 1-chloro-4-[2-chloroethoxy(phenyl)methyl]benzene?
The canonical SMILES for 1-chloro-4-[2-chloroethoxy(phenyl)methyl]benzene is ClCCOC(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[2-chloroethoxy(phenyl)methyl]benzene?
The InChIKey is DCEIKCWSGSANLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O/c16-10-11-18-15(12-4-2-1-3-5-12)13-6-8-14(17)9-7-13/h1-9,15H,10-11H2.
What are the key properties of 1-chloro-4-[2-chloroethoxy(phenyl)methyl]benzene?
1-chloro-4-[2-chloroethoxy(phenyl)methyl]benzene has a molecular weight of 281.18 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[2-chloroethoxy(phenyl)methyl]benzene is sourced from PubChem (CID 12570310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).