1,4-dichloro-2-[(4-chlorophenoxy)methyl]benzene

C13H9Cl3O — CID 65317932

IUPAC1,4-dichloro-2-[(4-chlorophenoxy)methyl]benzene
SMILESClc1ccc(OCc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C13H9Cl3O/c14-10-1-4-12(5-2-10)17-8-9-7-11(15)3-6-13(9)16/h1-7H,8H2
InChIKeyIHAQZMJISGTUBS-UHFFFAOYSA-N
MW287.57 g/mol
LogP5.23
Rot. Bonds3

About 1,4-dichloro-2-[(4-chlorophenoxy)methyl]benzene

1,4-dichloro-2-[(4-chlorophenoxy)methyl]benzene (PubChem CID 65317932) has the molecular formula C13H9Cl3O and a molecular weight of 287.57 g/mol. Its IUPAC name is 1,4-dichloro-2-[(4-chlorophenoxy)methyl]benzene.

Molecular Properties

Compound Name1,4-dichloro-2-[(4-chlorophenoxy)methyl]benzene
PubChem CID65317932
Molecular FormulaC13H9Cl3O
Molecular Weight287.57 g/mol
Exact Mass285.97
IUPAC Name1,4-dichloro-2-[(4-chlorophenoxy)methyl]benzene
SMILESClc1ccc(OCc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C13H9Cl3O/c14-10-1-4-12(5-2-10)17-8-9-7-11(15)3-6-13(9)16/h1-7H,8H2
InChIKeyIHAQZMJISGTUBS-UHFFFAOYSA-N
XLogP5.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.57
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,4-dichloro-2-[(4-chlorophenoxy)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

Related Compounds

4-[(2,5-dichlorophenyl)methoxy]benzonitrile
CID 65317709
1-bromo-4-chloro-2-[(4-chlorophenoxy)methyl]benzene
CID 134102081
2-chloro-5-[(2,5-dichlorophenyl)methoxy]benzoic acid
CID 106500719
1-[4-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494853
(2,5-dichlorophenyl)methoxyazanium
CID 3797844
4-[(2,4-dichlorophenyl)methoxy]aniline
CID 11579870
2-(bromomethyl)-4-chloro-1-[(2,5-dichlorophenyl)methoxy]benzene
CID 65316926
2-chloro-5-[(5-chloro-2-fluorophenyl)methoxy]aniline
CID 58022040
(4-chlorophenyl)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanone
CID 3914147
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
2-(bromomethyl)-1-[(2,5-dichlorophenyl)methoxy]-4-methoxybenzene
CID 65317020
1-chloro-4-fluoro-2-[(4-iodophenoxy)methyl]benzene
CID 102616175

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-[(4-chlorophenoxy)methyl]benzene?
The IUPAC name of 1,4-dichloro-2-[(4-chlorophenoxy)methyl]benzene (CID 65317932) is 1,4-dichloro-2-[(4-chlorophenoxy)methyl]benzene.
What is the SMILES notation for 1,4-dichloro-2-[(4-chlorophenoxy)methyl]benzene?
The canonical SMILES for 1,4-dichloro-2-[(4-chlorophenoxy)methyl]benzene is Clc1ccc(OCc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 1,4-dichloro-2-[(4-chlorophenoxy)methyl]benzene?
The InChIKey is IHAQZMJISGTUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3O/c14-10-1-4-12(5-2-10)17-8-9-7-11(15)3-6-13(9)16/h1-7H,8H2.
What are the key properties of 1,4-dichloro-2-[(4-chlorophenoxy)methyl]benzene?
1,4-dichloro-2-[(4-chlorophenoxy)methyl]benzene has a molecular weight of 287.57 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-[(4-chlorophenoxy)methyl]benzene is sourced from PubChem (CID 65317932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).