2,4-dichloro-1-[4-(chloromethyl)-2-methoxyphenoxy]benzene

C14H11Cl3O2 — CID 23656592

IUPAC2,4-dichloro-1-[4-(chloromethyl)-2-methoxyphenoxy]benzene
SMILESCOc1cc(CCl)ccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl3O2/c1-18-14-6-9(8-15)2-4-13(14)19-12-5-3-10(16)7-11(12)17/h2-7H,8H2,1H3
InChIKeyKGFZDWAEBKKPMK-UHFFFAOYSA-N
MW317.60 g/mol
LogP5.53
Rot. Bonds4

About 2,4-dichloro-1-[4-(chloromethyl)-2-methoxyphenoxy]benzene

2,4-dichloro-1-[4-(chloromethyl)-2-methoxyphenoxy]benzene (PubChem CID 23656592) has the molecular formula C14H11Cl3O2 and a molecular weight of 317.60 g/mol. Its IUPAC name is 2,4-dichloro-1-[4-(chloromethyl)-2-methoxyphenoxy]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[4-(chloromethyl)-2-methoxyphenoxy]benzene
PubChem CID23656592
Molecular FormulaC14H11Cl3O2
Molecular Weight317.60 g/mol
Exact Mass315.98
IUPAC Name2,4-dichloro-1-[4-(chloromethyl)-2-methoxyphenoxy]benzene
SMILESCOc1cc(CCl)ccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl3O2/c1-18-14-6-9(8-15)2-4-13(14)19-12-5-3-10(16)7-11(12)17/h2-7H,8H2,1H3
InChIKeyKGFZDWAEBKKPMK-UHFFFAOYSA-N
XLogP5.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.60
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl triclosan
CID 627458
2-(2,4-Dichlorophenoxy)-5-(hydroxymethyl)phenol
CID 23656595
2-(2,4-Dichlorophenoxy)-5-methylphenol
CID 22947105
5-(Chloromethyl)-2-(2,4-dichlorophenoxy)phenol
CID 23656591
4-(2,4-Dichlorophenoxy)-3-hydroxybenzonitrile
CID 25023955
2-(2,4-Dichlorophenoxy)-5-ethylphenol
CID 25023958
4-Chloromethyl-1,2-diethoxy-benzene
CID 2434831
4-(2,4-Dichlorophenoxy)-2'-Methylbiphenyl-3-Ol
CID 15942656
2-(2,4-Dichlorophenoxy)-5-(3-phenylpropyl)phenol
CID 16220126
2-(2,4-Dichlorophenoxy)-5-(2-Phenylethyl)phenol
CID 16220128
2-(2,4-Dichlorophenoxy)-5-phenylphenol
CID 25023954
2-(2,4-Dichlorophenoxy)-5-propylphenol
CID 25023959

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[4-(chloromethyl)-2-methoxyphenoxy]benzene?
The IUPAC name of 2,4-dichloro-1-[4-(chloromethyl)-2-methoxyphenoxy]benzene (CID 23656592) is 2,4-dichloro-1-[4-(chloromethyl)-2-methoxyphenoxy]benzene.
What is the SMILES notation for 2,4-dichloro-1-[4-(chloromethyl)-2-methoxyphenoxy]benzene?
The canonical SMILES for 2,4-dichloro-1-[4-(chloromethyl)-2-methoxyphenoxy]benzene is COc1cc(CCl)ccc1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-[4-(chloromethyl)-2-methoxyphenoxy]benzene?
The InChIKey is KGFZDWAEBKKPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3O2/c1-18-14-6-9(8-15)2-4-13(14)19-12-5-3-10(16)7-11(12)17/h2-7H,8H2,1H3.
What are the key properties of 2,4-dichloro-1-[4-(chloromethyl)-2-methoxyphenoxy]benzene?
2,4-dichloro-1-[4-(chloromethyl)-2-methoxyphenoxy]benzene has a molecular weight of 317.60 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-[4-(chloromethyl)-2-methoxyphenoxy]benzene is sourced from PubChem (CID 23656592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).