anisole;1,4-dichlorobenzene

C13H12Cl2O — CID 175517246

IUPACanisole;1,4-dichlorobenzene
SMILESCOc1ccccc1.Clc1ccc(Cl)cc1
InChIInChI=1S/C7H8O.C6H4Cl2/c1-8-7-5-3-2-4-6-7;7-5-1-2-6(8)4-3-5/h2-6H,1H3;1-4H
InChIKeyDIIOAUJBPOMEJN-UHFFFAOYSA-N
MW255.14 g/mol
LogP4.69
Rot. Bonds1

About anisole;1,4-dichlorobenzene

anisole;1,4-dichlorobenzene (PubChem CID 175517246) has the molecular formula C13H12Cl2O and a molecular weight of 255.14 g/mol. Its IUPAC name is anisole;1,4-dichlorobenzene.

Molecular Properties

Compound Nameanisole;1,4-dichlorobenzene
PubChem CID175517246
Molecular FormulaC13H12Cl2O
Molecular Weight255.14 g/mol
Exact Mass254.03
IUPAC Nameanisole;1,4-dichlorobenzene
SMILESCOc1ccccc1.Clc1ccc(Cl)cc1
InChIInChI=1S/C7H8O.C6H4Cl2/c1-8-7-5-3-2-4-6-7;7-5-1-2-6(8)4-3-5/h2-6H,1H3;1-4H
InChIKeyDIIOAUJBPOMEJN-UHFFFAOYSA-N
XLogP4.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.14
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of anisole;1,4-dichlorobenzene?
The IUPAC name of anisole;1,4-dichlorobenzene (CID 175517246) is anisole;1,4-dichlorobenzene.
What is the SMILES notation for anisole;1,4-dichlorobenzene?
The canonical SMILES for anisole;1,4-dichlorobenzene is COc1ccccc1.Clc1ccc(Cl)cc1.
What is the InChIKey of anisole;1,4-dichlorobenzene?
The InChIKey is DIIOAUJBPOMEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C6H4Cl2/c1-8-7-5-3-2-4-6-7;7-5-1-2-6(8)4-3-5/h2-6H,1H3;1-4H.
What are the key properties of anisole;1,4-dichlorobenzene?
anisole;1,4-dichlorobenzene has a molecular weight of 255.14 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;1,4-dichlorobenzene is sourced from PubChem (CID 175517246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).