2,4-dichloro-1-(4-chloro-2-methoxyphenoxy)benzene

C13H9Cl3O2 — CID 627458

IUPAC2,4-dichloro-1-(4-chloro-2-methoxyphenoxy)benzene
SMILESCOc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H9Cl3O2/c1-17-13-7-9(15)3-5-12(13)18-11-4-2-8(14)6-10(11)16/h2-7H,1H3
InChIKeyNLYDHBBTVWMLFD-UHFFFAOYSA-N
MW303.57 g/mol
LogP5.45
Rot. Bonds3

About 2,4-dichloro-1-(4-chloro-2-methoxyphenoxy)benzene

2,4-dichloro-1-(4-chloro-2-methoxyphenoxy)benzene (PubChem CID 627458) has the molecular formula C13H9Cl3O2 and a molecular weight of 303.57 g/mol. Its IUPAC name is 2,4-dichloro-1-(4-chloro-2-methoxyphenoxy)benzene.

Molecular Properties

Compound Name2,4-dichloro-1-(4-chloro-2-methoxyphenoxy)benzene
PubChem CID627458
Molecular FormulaC13H9Cl3O2
Molecular Weight303.57 g/mol
Exact Mass301.97
IUPAC Name2,4-dichloro-1-(4-chloro-2-methoxyphenoxy)benzene
SMILESCOc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H9Cl3O2/c1-17-13-7-9(15)3-5-12(13)18-11-4-2-8(14)6-10(11)16/h2-7H,1H3
InChIKeyNLYDHBBTVWMLFD-UHFFFAOYSA-N
XLogP5.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.57
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-(4-chloro-2-methoxyphenoxy)benzene?
The IUPAC name of 2,4-dichloro-1-(4-chloro-2-methoxyphenoxy)benzene (CID 627458) is 2,4-dichloro-1-(4-chloro-2-methoxyphenoxy)benzene.
What is the SMILES notation for 2,4-dichloro-1-(4-chloro-2-methoxyphenoxy)benzene?
The canonical SMILES for 2,4-dichloro-1-(4-chloro-2-methoxyphenoxy)benzene is COc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-(4-chloro-2-methoxyphenoxy)benzene?
The InChIKey is NLYDHBBTVWMLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3O2/c1-17-13-7-9(15)3-5-12(13)18-11-4-2-8(14)6-10(11)16/h2-7H,1H3.
What are the key properties of 2,4-dichloro-1-(4-chloro-2-methoxyphenoxy)benzene?
2,4-dichloro-1-(4-chloro-2-methoxyphenoxy)benzene has a molecular weight of 303.57 g/mol, XLogP of 5.45, 3 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-chloro-2-methoxyphenoxy)benzene is sourced from PubChem (CID 627458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).