2,4-dichloro-1-(phenoxymethyl)benzene

C13H10Cl2O — CID 8708217

IUPAC2,4-dichloro-1-(phenoxymethyl)benzene
SMILESClc1ccc(COc2ccccc2)c(Cl)c1
InChIInChI=1S/C13H10Cl2O/c14-11-7-6-10(13(15)8-11)9-16-12-4-2-1-3-5-12/h1-8H,9H2
InChIKeyPQKLELIUFZGSLC-UHFFFAOYSA-N
MW253.13 g/mol
LogP4.57
Rot. Bonds3

About 2,4-dichloro-1-(phenoxymethyl)benzene

2,4-dichloro-1-(phenoxymethyl)benzene (PubChem CID 8708217) has the molecular formula C13H10Cl2O and a molecular weight of 253.13 g/mol. Its IUPAC name is 2,4-dichloro-1-(phenoxymethyl)benzene.

Molecular Properties

Compound Name2,4-dichloro-1-(phenoxymethyl)benzene
PubChem CID8708217
Molecular FormulaC13H10Cl2O
Molecular Weight253.13 g/mol
Exact Mass252.01
IUPAC Name2,4-dichloro-1-(phenoxymethyl)benzene
SMILESClc1ccc(COc2ccccc2)c(Cl)c1
InChIInChI=1S/C13H10Cl2O/c14-11-7-6-10(13(15)8-11)9-16-12-4-2-1-3-5-12/h1-8H,9H2
InChIKeyPQKLELIUFZGSLC-UHFFFAOYSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-(phenoxymethyl)benzene?
The IUPAC name of 2,4-dichloro-1-(phenoxymethyl)benzene (CID 8708217) is 2,4-dichloro-1-(phenoxymethyl)benzene.
What is the SMILES notation for 2,4-dichloro-1-(phenoxymethyl)benzene?
The canonical SMILES for 2,4-dichloro-1-(phenoxymethyl)benzene is Clc1ccc(COc2ccccc2)c(Cl)c1.
What is the InChIKey of 2,4-dichloro-1-(phenoxymethyl)benzene?
The InChIKey is PQKLELIUFZGSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2O/c14-11-7-6-10(13(15)8-11)9-16-12-4-2-1-3-5-12/h1-8H,9H2.
What are the key properties of 2,4-dichloro-1-(phenoxymethyl)benzene?
2,4-dichloro-1-(phenoxymethyl)benzene has a molecular weight of 253.13 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-(phenoxymethyl)benzene is sourced from PubChem (CID 8708217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).