5-chloro-2-[5-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene

C15H13Cl3O — CID 114846926

IUPAC5-chloro-2-[5-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene
SMILESCc1cc(Cl)cc(C)c1Oc1cc(Cl)ccc1CCl
InChIInChI=1S/C15H13Cl3O/c1-9-5-13(18)6-10(2)15(9)19-14-7-12(17)4-3-11(14)8-16/h3-7H,8H2,1-2H3
InChIKeyDJYMGENGFXAOHT-UHFFFAOYSA-N
MW315.63 g/mol
LogP6.14
Rot. Bonds3

About 5-chloro-2-[5-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene

5-chloro-2-[5-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene (PubChem CID 114846926) has the molecular formula C15H13Cl3O and a molecular weight of 315.63 g/mol. Its IUPAC name is 5-chloro-2-[5-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene.

Molecular Properties

Compound Name5-chloro-2-[5-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene
PubChem CID114846926
Molecular FormulaC15H13Cl3O
Molecular Weight315.63 g/mol
Exact Mass314.00
IUPAC Name5-chloro-2-[5-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene
SMILESCc1cc(Cl)cc(C)c1Oc1cc(Cl)ccc1CCl
InChIInChI=1S/C15H13Cl3O/c1-9-5-13(18)6-10(2)15(9)19-14-7-12(17)4-3-11(14)8-16/h3-7H,8H2,1-2H3
InChIKeyDJYMGENGFXAOHT-UHFFFAOYSA-N
XLogP6.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.63
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-(chloromethyl)-2-(3,4-dimethylphenoxy)benzene
CID 114846964
1-[5-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene
CID 114846944
2-[5-chloro-2-(chloromethyl)phenoxy]-1-methyl-4-propan-2-ylbenzene
CID 114847049
5-chloro-2-[2-chloro-4-(chloromethyl)phenoxy]-1,3-dimethylbenzene
CID 81152086
1-[5-chloro-2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-2-amine
CID 114862724
4-(chloromethyl)-3-(5-chloro-2-methylphenoxy)pyridine
CID 105067739
4-chloro-1-(chloromethyl)-2-(4-fluorophenoxy)benzene
CID 114846971
1-[4-bromo-2-(4-chloro-2,6-dimethylphenoxy)phenyl]-N-methylmethanamine
CID 43282565
3-[5-chloro-2-(chloromethyl)phenoxy]-2-ethyl-6-methylpyridine
CID 103175228
2-chloro-1-(chloromethyl)-4-(4-chloro-2-methylphenoxy)benzene
CID 114064510
5-chloro-2-(4-chloro-2,6-dimethylphenoxy)benzonitrile
CID 63510537
1,3-dibromo-2-[5-chloro-2-(chloromethyl)phenoxy]-5-nitrobenzene
CID 114847088

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[5-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene?
The IUPAC name of 5-chloro-2-[5-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene (CID 114846926) is 5-chloro-2-[5-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene.
What is the SMILES notation for 5-chloro-2-[5-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene?
The canonical SMILES for 5-chloro-2-[5-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene is Cc1cc(Cl)cc(C)c1Oc1cc(Cl)ccc1CCl.
What is the InChIKey of 5-chloro-2-[5-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene?
The InChIKey is DJYMGENGFXAOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3O/c1-9-5-13(18)6-10(2)15(9)19-14-7-12(17)4-3-11(14)8-16/h3-7H,8H2,1-2H3.
What are the key properties of 5-chloro-2-[5-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene?
5-chloro-2-[5-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene has a molecular weight of 315.63 g/mol, XLogP of 6.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[5-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene is sourced from PubChem (CID 114846926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).