5-chloro-2-[2-chloro-4-(chloromethyl)phenoxy]-1,3-dimethylbenzene

C15H13Cl3O — CID 81152086

IUPAC5-chloro-2-[2-chloro-4-(chloromethyl)phenoxy]-1,3-dimethylbenzene
SMILESCc1cc(Cl)cc(C)c1Oc1ccc(CCl)cc1Cl
InChIInChI=1S/C15H13Cl3O/c1-9-5-12(17)6-10(2)15(9)19-14-4-3-11(8-16)7-13(14)18/h3-7H,8H2,1-2H3
InChIKeyULENTARKNMEMKY-UHFFFAOYSA-N
MW315.63 g/mol
LogP6.14
Rot. Bonds3

About 5-chloro-2-[2-chloro-4-(chloromethyl)phenoxy]-1,3-dimethylbenzene

5-chloro-2-[2-chloro-4-(chloromethyl)phenoxy]-1,3-dimethylbenzene (PubChem CID 81152086) has the molecular formula C15H13Cl3O and a molecular weight of 315.63 g/mol. Its IUPAC name is 5-chloro-2-[2-chloro-4-(chloromethyl)phenoxy]-1,3-dimethylbenzene.

Molecular Properties

Compound Name5-chloro-2-[2-chloro-4-(chloromethyl)phenoxy]-1,3-dimethylbenzene
PubChem CID81152086
Molecular FormulaC15H13Cl3O
Molecular Weight315.63 g/mol
Exact Mass314.00
IUPAC Name5-chloro-2-[2-chloro-4-(chloromethyl)phenoxy]-1,3-dimethylbenzene
SMILESCc1cc(Cl)cc(C)c1Oc1ccc(CCl)cc1Cl
InChIInChI=1S/C15H13Cl3O/c1-9-5-12(17)6-10(2)15(9)19-14-4-3-11(8-16)7-13(14)18/h3-7H,8H2,1-2H3
InChIKeyULENTARKNMEMKY-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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-chloro-4-(chloromethyl)phenoxy]-1,3-dimethylbenzene?
The IUPAC name of 5-chloro-2-[2-chloro-4-(chloromethyl)phenoxy]-1,3-dimethylbenzene (CID 81152086) is 5-chloro-2-[2-chloro-4-(chloromethyl)phenoxy]-1,3-dimethylbenzene.
What is the SMILES notation for 5-chloro-2-[2-chloro-4-(chloromethyl)phenoxy]-1,3-dimethylbenzene?
The canonical SMILES for 5-chloro-2-[2-chloro-4-(chloromethyl)phenoxy]-1,3-dimethylbenzene is Cc1cc(Cl)cc(C)c1Oc1ccc(CCl)cc1Cl.
What is the InChIKey of 5-chloro-2-[2-chloro-4-(chloromethyl)phenoxy]-1,3-dimethylbenzene?
The InChIKey is ULENTARKNMEMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3O/c1-9-5-12(17)6-10(2)15(9)19-14-4-3-11(8-16)7-13(14)18/h3-7H,8H2,1-2H3.
What are the key properties of 5-chloro-2-[2-chloro-4-(chloromethyl)phenoxy]-1,3-dimethylbenzene?
5-chloro-2-[2-chloro-4-(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-[2-chloro-4-(chloromethyl)phenoxy]-1,3-dimethylbenzene is sourced from PubChem (CID 81152086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).