5-(chloromethyl)-2-(3,5-dimethoxyphenoxy)-1,3-difluorobenzene

C15H13ClF2O3 — CID 63076728

IUPAC5-(chloromethyl)-2-(3,5-dimethoxyphenoxy)-1,3-difluorobenzene
SMILESCOc1cc(OC)cc(Oc2c(F)cc(CCl)cc2F)c1
InChIInChI=1S/C15H13ClF2O3/c1-19-10-5-11(20-2)7-12(6-10)21-15-13(17)3-9(8-16)4-14(15)18/h3-7H,8H2,1-2H3
InChIKeyYQCZGDYUPIHAQP-UHFFFAOYSA-N
MW314.72 g/mol
LogP4.51
Rot. Bonds5

About 5-(chloromethyl)-2-(3,5-dimethoxyphenoxy)-1,3-difluorobenzene

5-(chloromethyl)-2-(3,5-dimethoxyphenoxy)-1,3-difluorobenzene (PubChem CID 63076728) has the molecular formula C15H13ClF2O3 and a molecular weight of 314.72 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(3,5-dimethoxyphenoxy)-1,3-difluorobenzene.

Molecular Properties

Compound Name5-(chloromethyl)-2-(3,5-dimethoxyphenoxy)-1,3-difluorobenzene
PubChem CID63076728
Molecular FormulaC15H13ClF2O3
Molecular Weight314.72 g/mol
Exact Mass314.05
IUPAC Name5-(chloromethyl)-2-(3,5-dimethoxyphenoxy)-1,3-difluorobenzene
SMILESCOc1cc(OC)cc(Oc2c(F)cc(CCl)cc2F)c1
InChIInChI=1S/C15H13ClF2O3/c1-19-10-5-11(20-2)7-12(6-10)21-15-13(17)3-9(8-16)4-14(15)18/h3-7H,8H2,1-2H3
InChIKeyYQCZGDYUPIHAQP-UHFFFAOYSA-N
XLogP4.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.72
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(chloromethyl)-2-(3,5-dimethoxyphenoxy)-1,3-difluorobenzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(3,5-dimethoxyphenoxy)-1,3-difluorobenzene?
The IUPAC name of 5-(chloromethyl)-2-(3,5-dimethoxyphenoxy)-1,3-difluorobenzene (CID 63076728) is 5-(chloromethyl)-2-(3,5-dimethoxyphenoxy)-1,3-difluorobenzene.
What is the SMILES notation for 5-(chloromethyl)-2-(3,5-dimethoxyphenoxy)-1,3-difluorobenzene?
The canonical SMILES for 5-(chloromethyl)-2-(3,5-dimethoxyphenoxy)-1,3-difluorobenzene is COc1cc(OC)cc(Oc2c(F)cc(CCl)cc2F)c1.
What is the InChIKey of 5-(chloromethyl)-2-(3,5-dimethoxyphenoxy)-1,3-difluorobenzene?
The InChIKey is YQCZGDYUPIHAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2O3/c1-19-10-5-11(20-2)7-12(6-10)21-15-13(17)3-9(8-16)4-14(15)18/h3-7H,8H2,1-2H3.
What are the key properties of 5-(chloromethyl)-2-(3,5-dimethoxyphenoxy)-1,3-difluorobenzene?
5-(chloromethyl)-2-(3,5-dimethoxyphenoxy)-1,3-difluorobenzene has a molecular weight of 314.72 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(3,5-dimethoxyphenoxy)-1,3-difluorobenzene is sourced from PubChem (CID 63076728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).