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

C13H9Cl3O — CID 63568031

IUPAC1,2-dichloro-4-[4-(chloromethyl)phenoxy]benzene
SMILESClCc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C13H9Cl3O/c14-8-9-1-3-10(4-2-9)17-11-5-6-12(15)13(16)7-11/h1-7H,8H2
InChIKeyAYEWKBGGFOHLAJ-UHFFFAOYSA-N
MW287.57 g/mol
LogP5.52
Rot. Bonds3

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

1,2-dichloro-4-[4-(chloromethyl)phenoxy]benzene (PubChem CID 63568031) has the molecular formula C13H9Cl3O and a molecular weight of 287.57 g/mol. Its IUPAC name is 1,2-dichloro-4-[4-(chloromethyl)phenoxy]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[4-(chloromethyl)phenoxy]benzene
PubChem CID63568031
Molecular FormulaC13H9Cl3O
Molecular Weight287.57 g/mol
Exact Mass285.97
IUPAC Name1,2-dichloro-4-[4-(chloromethyl)phenoxy]benzene
SMILESClCc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C13H9Cl3O/c14-8-9-1-3-10(4-2-9)17-11-5-6-12(15)13(16)7-11/h1-7H,8H2
InChIKeyAYEWKBGGFOHLAJ-UHFFFAOYSA-N
XLogP5.52
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 ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-dichloro-4-[[4-(chloromethyl)phenoxy]methyl]benzene
CID 22280207
1,2-dichloro-4-[4-[[(R)-methylsulfinyl]methyl]phenoxy]benzene
CID 129390999
2-[[4-(3,4-dichlorophenoxy)phenyl]methylsulfanyl]acetic acid
CID 66573806
3-chloro-2-(chloromethyl)-6-(3,4-dichlorophenoxy)pyridine
CID 63446768
2-[(S)-[4-(3,4-dichlorophenoxy)phenyl]methylsulfinyl]acetic acid
CID 129364945
6-[4-(chloromethyl)phenoxy]quinoline
CID 82093013
2-chloro-1-[4-(chloromethyl)phenoxy]-4-fluorobenzene
CID 55221605
1,2-dichloro-4-phenoxybenzene;propanal
CID 174651599
1,2-bis[4-(chloromethyl)phenoxy]benzene
CID 54463677
1-chloro-4-(chloromethyl)-2-phenoxybenzene
CID 150965989
2-(4-chloro-3-fluorophenoxy)-5-(chloromethyl)pyridine
CID 82716658
4-chloro-5-(chloromethyl)-6-(3,4-dichlorophenoxy)pyrimidine
CID 107087892

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[4-(chloromethyl)phenoxy]benzene?
The IUPAC name of 1,2-dichloro-4-[4-(chloromethyl)phenoxy]benzene (CID 63568031) is 1,2-dichloro-4-[4-(chloromethyl)phenoxy]benzene.
What is the SMILES notation for 1,2-dichloro-4-[4-(chloromethyl)phenoxy]benzene?
The canonical SMILES for 1,2-dichloro-4-[4-(chloromethyl)phenoxy]benzene is ClCc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 1,2-dichloro-4-[4-(chloromethyl)phenoxy]benzene?
The InChIKey is AYEWKBGGFOHLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3O/c14-8-9-1-3-10(4-2-9)17-11-5-6-12(15)13(16)7-11/h1-7H,8H2.
What are the key properties of 1,2-dichloro-4-[4-(chloromethyl)phenoxy]benzene?
1,2-dichloro-4-[4-(chloromethyl)phenoxy]benzene has a molecular weight of 287.57 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[4-(chloromethyl)phenoxy]benzene is sourced from PubChem (CID 63568031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).