2,4-dichloro-1-[1-[(4-chloro-2-methylphenyl)methoxy]propyl]benzene

C17H17Cl3O — CID 143164368

IUPAC2,4-dichloro-1-[1-[(4-chloro-2-methylphenyl)methoxy]propyl]benzene
SMILESCCC(OCc1ccc(Cl)cc1C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl3O/c1-3-17(15-7-6-14(19)9-16(15)20)21-10-12-4-5-13(18)8-11(12)2/h4-9,17H,3,10H2,1-2H3
InChIKeyXNGGJAHEZDEKQS-UHFFFAOYSA-N
MW343.68 g/mol
LogP6.62
Rot. Bonds5

About 2,4-dichloro-1-[1-[(4-chloro-2-methylphenyl)methoxy]propyl]benzene

2,4-dichloro-1-[1-[(4-chloro-2-methylphenyl)methoxy]propyl]benzene (PubChem CID 143164368) has the molecular formula C17H17Cl3O and a molecular weight of 343.68 g/mol. Its IUPAC name is 2,4-dichloro-1-[1-[(4-chloro-2-methylphenyl)methoxy]propyl]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[1-[(4-chloro-2-methylphenyl)methoxy]propyl]benzene
PubChem CID143164368
Molecular FormulaC17H17Cl3O
Molecular Weight343.68 g/mol
Exact Mass342.03
IUPAC Name2,4-dichloro-1-[1-[(4-chloro-2-methylphenyl)methoxy]propyl]benzene
SMILESCCC(OCc1ccc(Cl)cc1C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl3O/c1-3-17(15-7-6-14(19)9-16(15)20)21-10-12-4-5-13(18)8-11(12)2/h4-9,17H,3,10H2,1-2H3
InChIKeyXNGGJAHEZDEKQS-UHFFFAOYSA-N
XLogP6.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.68
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethanol
CID 70556653
(2R)-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethanamine
CID 156596799
2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethanamine;hydrochloride
CID 175674542
3-chloro-2-[1-(2,4-dichlorophenyl)propoxymethyl]-5-methylcyclohepta-1,3,5-triene
CID 143164328
N-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]formamide
CID 15111116
2,4-dichloro-1-pentan-3-ylbenzene
CID 18711414
4-chloro-2-methyl-1-(2-methylpropoxymethyl)benzene
CID 91716374
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-ethylimidazol-1-ium;chloride;dihydrochloride
CID 161296312
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;rhodium
CID 142358126
1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105050988
(4-chloro-2-methylphenyl)methyl acetate
CID 91715961
(1R)-1-(4-chloro-2-methylphenyl)-2-methylbutan-1-amine
CID 130804178

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[1-[(4-chloro-2-methylphenyl)methoxy]propyl]benzene?
The IUPAC name of 2,4-dichloro-1-[1-[(4-chloro-2-methylphenyl)methoxy]propyl]benzene (CID 143164368) is 2,4-dichloro-1-[1-[(4-chloro-2-methylphenyl)methoxy]propyl]benzene.
What is the SMILES notation for 2,4-dichloro-1-[1-[(4-chloro-2-methylphenyl)methoxy]propyl]benzene?
The canonical SMILES for 2,4-dichloro-1-[1-[(4-chloro-2-methylphenyl)methoxy]propyl]benzene is CCC(OCc1ccc(Cl)cc1C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-[1-[(4-chloro-2-methylphenyl)methoxy]propyl]benzene?
The InChIKey is XNGGJAHEZDEKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl3O/c1-3-17(15-7-6-14(19)9-16(15)20)21-10-12-4-5-13(18)8-11(12)2/h4-9,17H,3,10H2,1-2H3.
What are the key properties of 2,4-dichloro-1-[1-[(4-chloro-2-methylphenyl)methoxy]propyl]benzene?
2,4-dichloro-1-[1-[(4-chloro-2-methylphenyl)methoxy]propyl]benzene has a molecular weight of 343.68 g/mol, XLogP of 6.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-[1-[(4-chloro-2-methylphenyl)methoxy]propyl]benzene is sourced from PubChem (CID 143164368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).