1,3-dichloro-5-(2,4-dimethylphenoxy)-2-methylbenzene

C15H14Cl2O — CID 123528023

IUPAC1,3-dichloro-5-(2,4-dimethylphenoxy)-2-methylbenzene
SMILESCc1ccc(Oc2cc(Cl)c(C)c(Cl)c2)c(C)c1
InChIInChI=1S/C15H14Cl2O/c1-9-4-5-15(10(2)6-9)18-12-7-13(16)11(3)14(17)8-12/h4-8H,1-3H3
InChIKeyINORXKFQPMIUPB-UHFFFAOYSA-N
MW281.18 g/mol
LogP5.71
Rot. Bonds2

About 1,3-dichloro-5-(2,4-dimethylphenoxy)-2-methylbenzene

1,3-dichloro-5-(2,4-dimethylphenoxy)-2-methylbenzene (PubChem CID 123528023) has the molecular formula C15H14Cl2O and a molecular weight of 281.18 g/mol. Its IUPAC name is 1,3-dichloro-5-(2,4-dimethylphenoxy)-2-methylbenzene.

Molecular Properties

Compound Name1,3-dichloro-5-(2,4-dimethylphenoxy)-2-methylbenzene
PubChem CID123528023
Molecular FormulaC15H14Cl2O
Molecular Weight281.18 g/mol
Exact Mass280.04
IUPAC Name1,3-dichloro-5-(2,4-dimethylphenoxy)-2-methylbenzene
SMILESCc1ccc(Oc2cc(Cl)c(C)c(Cl)c2)c(C)c1
InChIInChI=1S/C15H14Cl2O/c1-9-4-5-15(10(2)6-9)18-12-7-13(16)11(3)14(17)8-12/h4-8H,1-3H3
InChIKeyINORXKFQPMIUPB-UHFFFAOYSA-N
XLogP5.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.18
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3-dichloro-5-(2,4-dimethylphenoxy)-2-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

1,2-dichloro-4-[3-chloro-4-(2,4-dimethylphenoxy)phenoxy]benzene
CID 67893432
carbon monoxide;2,4-dimethyl-1-(4-methylphenoxy)benzene
CID 91264614
1,4-bis(2,5-dimethylphenoxy)-2-methylbenzene
CID 160687040
1-chloro-4-(2,4-dimethylphenoxy)phthalazine
CID 62140045
1-[4-(2,4-dimethylphenoxy)phenyl]ethanamine
CID 43189138
3-chloro-4-(2,4-dimethylphenoxy)-1,2,5-thiadiazole
CID 60726072
1-methoxy-2,4-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169444379
[3,5-dichloro-6-(2,4-dimethylphenoxy)-2-pyridinyl]hydrazine
CID 102762815
4-chloro-6-(2,4-dimethylphenoxy)pyrimidine
CID 60726049
3-(4-chloro-2-methylphenoxy)-5-methylaniline
CID 112648317
[4-(2-chloro-4-methylphenoxy)-3-methylphenyl]methanol
CID 62673606
1-[5-(2,4-dimethylphenoxy)-2-methylphenyl]ethanone
CID 59067571

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-(2,4-dimethylphenoxy)-2-methylbenzene?
The IUPAC name of 1,3-dichloro-5-(2,4-dimethylphenoxy)-2-methylbenzene (CID 123528023) is 1,3-dichloro-5-(2,4-dimethylphenoxy)-2-methylbenzene.
What is the SMILES notation for 1,3-dichloro-5-(2,4-dimethylphenoxy)-2-methylbenzene?
The canonical SMILES for 1,3-dichloro-5-(2,4-dimethylphenoxy)-2-methylbenzene is Cc1ccc(Oc2cc(Cl)c(C)c(Cl)c2)c(C)c1.
What is the InChIKey of 1,3-dichloro-5-(2,4-dimethylphenoxy)-2-methylbenzene?
The InChIKey is INORXKFQPMIUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O/c1-9-4-5-15(10(2)6-9)18-12-7-13(16)11(3)14(17)8-12/h4-8H,1-3H3.
What are the key properties of 1,3-dichloro-5-(2,4-dimethylphenoxy)-2-methylbenzene?
1,3-dichloro-5-(2,4-dimethylphenoxy)-2-methylbenzene has a molecular weight of 281.18 g/mol, XLogP of 5.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-(2,4-dimethylphenoxy)-2-methylbenzene is sourced from PubChem (CID 123528023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).