1-chloro-2-(3-chlorophenoxy)-4-methylbenzene

C13H10Cl2O — CID 170985153

IUPAC1-chloro-2-(3-chlorophenoxy)-4-methylbenzene
SMILESCc1ccc(Cl)c(Oc2cccc(Cl)c2)c1
InChIInChI=1S/C13H10Cl2O/c1-9-5-6-12(15)13(7-9)16-11-4-2-3-10(14)8-11/h2-8H,1H3
InChIKeyWIMMTWAWSMCIFI-UHFFFAOYSA-N
MW253.13 g/mol
LogP5.09
Rot. Bonds2

About 1-chloro-2-(3-chlorophenoxy)-4-methylbenzene

1-chloro-2-(3-chlorophenoxy)-4-methylbenzene (PubChem CID 170985153) has the molecular formula C13H10Cl2O and a molecular weight of 253.13 g/mol. Its IUPAC name is 1-chloro-2-(3-chlorophenoxy)-4-methylbenzene.

Molecular Properties

Compound Name1-chloro-2-(3-chlorophenoxy)-4-methylbenzene
PubChem CID170985153
Molecular FormulaC13H10Cl2O
Molecular Weight253.13 g/mol
Exact Mass252.01
IUPAC Name1-chloro-2-(3-chlorophenoxy)-4-methylbenzene
SMILESCc1ccc(Cl)c(Oc2cccc(Cl)c2)c1
InChIInChI=1S/C13H10Cl2O/c1-9-5-6-12(15)13(7-9)16-11-4-2-3-10(14)8-11/h2-8H,1H3
InChIKeyWIMMTWAWSMCIFI-UHFFFAOYSA-N
XLogP5.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.13
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-chloro-2-(3-chlorophenoxy)-4-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-4-methyl-2-(3-methylphenoxy)benzene
CID 54166558
1,2,4-trichloro-5-(3-chlorophenoxy)benzene
CID 23274709
2-(3-chlorophenoxy)-4-methylbenzoic acid
CID 55107381
1-chloro-3-(3-methylphenoxy)benzene;ethane
CID 153343625
4-chloro-3-(3-chlorophenoxy)benzaldehyde
CID 170985401
1,2,3-trichloro-4-(3-chlorophenoxy)benzene
CID 23274712
1-[3-(2-chloro-5-methylphenoxy)phenyl]butan-2-amine
CID 63943720
1,2-dichloro-3-(3-chlorophenoxy)benzene
CID 72941852
2-(3-chlorophenoxy)-5-methylbenzenecarboximidamide
CID 107930685
[4-(2-chloro-5-methylphenoxy)-2-methylphenyl]methanamine
CID 55038503
4-(3-chlorophenoxy)-1,2-dimethylbenzene
CID 70594513
2-bromo-1-(chloromethyl)-4-(2-chloro-5-methylphenoxy)benzene
CID 114060625

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(3-chlorophenoxy)-4-methylbenzene?
The IUPAC name of 1-chloro-2-(3-chlorophenoxy)-4-methylbenzene (CID 170985153) is 1-chloro-2-(3-chlorophenoxy)-4-methylbenzene.
What is the SMILES notation for 1-chloro-2-(3-chlorophenoxy)-4-methylbenzene?
The canonical SMILES for 1-chloro-2-(3-chlorophenoxy)-4-methylbenzene is Cc1ccc(Cl)c(Oc2cccc(Cl)c2)c1.
What is the InChIKey of 1-chloro-2-(3-chlorophenoxy)-4-methylbenzene?
The InChIKey is WIMMTWAWSMCIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2O/c1-9-5-6-12(15)13(7-9)16-11-4-2-3-10(14)8-11/h2-8H,1H3.
What are the key properties of 1-chloro-2-(3-chlorophenoxy)-4-methylbenzene?
1-chloro-2-(3-chlorophenoxy)-4-methylbenzene has a molecular weight of 253.13 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(3-chlorophenoxy)-4-methylbenzene is sourced from PubChem (CID 170985153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).