1-chloro-3-(2-chloro-4-fluorophenoxy)-2-(chloromethyl)benzene

C13H8Cl3FO — CID 63567494

IUPAC1-chloro-3-(2-chloro-4-fluorophenoxy)-2-(chloromethyl)benzene
SMILESFc1ccc(Oc2cccc(Cl)c2CCl)c(Cl)c1
InChIInChI=1S/C13H8Cl3FO/c14-7-9-10(15)2-1-3-12(9)18-13-5-4-8(17)6-11(13)16/h1-6H,7H2
InChIKeyWARMQGHTACZLQZ-UHFFFAOYSA-N
MW305.56 g/mol
LogP5.66
Rot. Bonds3

About 1-chloro-3-(2-chloro-4-fluorophenoxy)-2-(chloromethyl)benzene

1-chloro-3-(2-chloro-4-fluorophenoxy)-2-(chloromethyl)benzene (PubChem CID 63567494) has the molecular formula C13H8Cl3FO and a molecular weight of 305.56 g/mol. Its IUPAC name is 1-chloro-3-(2-chloro-4-fluorophenoxy)-2-(chloromethyl)benzene.

Molecular Properties

Compound Name1-chloro-3-(2-chloro-4-fluorophenoxy)-2-(chloromethyl)benzene
PubChem CID63567494
Molecular FormulaC13H8Cl3FO
Molecular Weight305.56 g/mol
Exact Mass303.96
IUPAC Name1-chloro-3-(2-chloro-4-fluorophenoxy)-2-(chloromethyl)benzene
SMILESFc1ccc(Oc2cccc(Cl)c2CCl)c(Cl)c1
InChIInChI=1S/C13H8Cl3FO/c14-7-9-10(15)2-1-3-12(9)18-13-5-4-8(17)6-11(13)16/h1-6H,7H2
InChIKeyWARMQGHTACZLQZ-UHFFFAOYSA-N
XLogP5.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.56
LogP ≤ 55.66
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-bromo-4-fluorophenoxy)-3-chloro-2-(chloromethyl)benzene
CID 28946983
1-[2-(bromomethyl)-3-chlorophenoxy]-2-chloro-4-fluorobenzene
CID 107087872
1-chloro-2-(chloromethyl)-3-(2-chlorophenoxy)benzene
CID 28947164
1-chloro-2-(chloromethyl)-3-(4-fluoro-2-nitrophenoxy)benzene
CID 63568398
1-chloro-2-(chloromethyl)-3-(2-fluoro-5-methylphenoxy)benzene
CID 64853464
1-(bromomethyl)-3-chloro-2-(2-chloro-4-fluorophenoxy)benzene
CID 114068008
1-chloro-2-(chloromethyl)-3-(2,5-dimethylphenoxy)benzene
CID 28947175
2-chloro-1-[4-(chloromethyl)phenoxy]-4-fluorobenzene
CID 55221605
1-chloro-2-(chloromethyl)-3-(2-fluoro-4-nitrophenoxy)benzene
CID 63566971
1-[2-(bromomethyl)phenoxy]-2-chloro-4-fluorobenzene
CID 107087875
1-chloro-2-(chloromethyl)-3-[2-(trifluoromethyl)phenoxy]benzene
CID 28946947
1-chloro-2-(chloromethyl)-3-(2-methylsulfanylphenoxy)benzene
CID 63648869

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2-chloro-4-fluorophenoxy)-2-(chloromethyl)benzene?
The IUPAC name of 1-chloro-3-(2-chloro-4-fluorophenoxy)-2-(chloromethyl)benzene (CID 63567494) is 1-chloro-3-(2-chloro-4-fluorophenoxy)-2-(chloromethyl)benzene.
What is the SMILES notation for 1-chloro-3-(2-chloro-4-fluorophenoxy)-2-(chloromethyl)benzene?
The canonical SMILES for 1-chloro-3-(2-chloro-4-fluorophenoxy)-2-(chloromethyl)benzene is Fc1ccc(Oc2cccc(Cl)c2CCl)c(Cl)c1.
What is the InChIKey of 1-chloro-3-(2-chloro-4-fluorophenoxy)-2-(chloromethyl)benzene?
The InChIKey is WARMQGHTACZLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3FO/c14-7-9-10(15)2-1-3-12(9)18-13-5-4-8(17)6-11(13)16/h1-6H,7H2.
What are the key properties of 1-chloro-3-(2-chloro-4-fluorophenoxy)-2-(chloromethyl)benzene?
1-chloro-3-(2-chloro-4-fluorophenoxy)-2-(chloromethyl)benzene has a molecular weight of 305.56 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2-chloro-4-fluorophenoxy)-2-(chloromethyl)benzene is sourced from PubChem (CID 63567494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).