5-(chloromethyl)-1,3-difluoro-2-(2-methoxy-4-methylphenoxy)benzene

C15H13ClF2O2 — CID 63075510

IUPAC5-(chloromethyl)-1,3-difluoro-2-(2-methoxy-4-methylphenoxy)benzene
SMILESCOc1cc(C)ccc1Oc1c(F)cc(CCl)cc1F
InChIInChI=1S/C15H13ClF2O2/c1-9-3-4-13(14(5-9)19-2)20-15-11(17)6-10(8-16)7-12(15)18/h3-7H,8H2,1-2H3
InChIKeyAGIGCQIRFKPWIY-UHFFFAOYSA-N
MW298.72 g/mol
LogP4.81
Rot. Bonds4

About 5-(chloromethyl)-1,3-difluoro-2-(2-methoxy-4-methylphenoxy)benzene

5-(chloromethyl)-1,3-difluoro-2-(2-methoxy-4-methylphenoxy)benzene (PubChem CID 63075510) has the molecular formula C15H13ClF2O2 and a molecular weight of 298.72 g/mol. Its IUPAC name is 5-(chloromethyl)-1,3-difluoro-2-(2-methoxy-4-methylphenoxy)benzene.

Molecular Properties

Compound Name5-(chloromethyl)-1,3-difluoro-2-(2-methoxy-4-methylphenoxy)benzene
PubChem CID63075510
Molecular FormulaC15H13ClF2O2
Molecular Weight298.72 g/mol
Exact Mass298.06
IUPAC Name5-(chloromethyl)-1,3-difluoro-2-(2-methoxy-4-methylphenoxy)benzene
SMILESCOc1cc(C)ccc1Oc1c(F)cc(CCl)cc1F
InChIInChI=1S/C15H13ClF2O2/c1-9-3-4-13(14(5-9)19-2)20-15-11(17)6-10(8-16)7-12(15)18/h3-7H,8H2,1-2H3
InChIKeyAGIGCQIRFKPWIY-UHFFFAOYSA-N
XLogP4.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.72
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(chloromethyl)-1,3-difluoro-2-(2-methoxy-4-methylphenoxy)benzene 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

5-(chloromethyl)-2-(4-ethyl-2-methoxyphenoxy)-1,3-difluorobenzene
CID 107666217
5-(chloromethyl)-1,3-difluoro-2-(5-methyl-2-propan-2-ylphenoxy)benzene
CID 63567841
1-[3-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene
CID 112594445
2-[4-(chloromethyl)-2-fluorophenoxy]-1-fluoro-4-methylbenzene
CID 64856384
1-[4-chloro-2-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene
CID 114846903
3-[4-(chloromethyl)-2,6-difluorophenoxy]-2-ethyl-6-methylpyridine
CID 103175217
5-(chloromethyl)-1,3-difluoro-2-(2-fluorophenoxy)benzene
CID 63076204
5-(chloromethyl)-2-(3,5-dimethoxyphenoxy)-1,3-difluorobenzene
CID 63076728
5-(chloromethyl)-1,2-difluoro-3-methoxybenzene
CID 130938766
2-[4-(2-bromo-4-methylphenoxy)-3,5-difluorophenyl]ethanamine
CID 63801942
N-[[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]methyl]ethanamine
CID 43282260
1-(3-chloropropoxy)-2-methoxy-4-methylbenzene
CID 23036323

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1,3-difluoro-2-(2-methoxy-4-methylphenoxy)benzene?
The IUPAC name of 5-(chloromethyl)-1,3-difluoro-2-(2-methoxy-4-methylphenoxy)benzene (CID 63075510) is 5-(chloromethyl)-1,3-difluoro-2-(2-methoxy-4-methylphenoxy)benzene.
What is the SMILES notation for 5-(chloromethyl)-1,3-difluoro-2-(2-methoxy-4-methylphenoxy)benzene?
The canonical SMILES for 5-(chloromethyl)-1,3-difluoro-2-(2-methoxy-4-methylphenoxy)benzene is COc1cc(C)ccc1Oc1c(F)cc(CCl)cc1F.
What is the InChIKey of 5-(chloromethyl)-1,3-difluoro-2-(2-methoxy-4-methylphenoxy)benzene?
The InChIKey is AGIGCQIRFKPWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2O2/c1-9-3-4-13(14(5-9)19-2)20-15-11(17)6-10(8-16)7-12(15)18/h3-7H,8H2,1-2H3.
What are the key properties of 5-(chloromethyl)-1,3-difluoro-2-(2-methoxy-4-methylphenoxy)benzene?
5-(chloromethyl)-1,3-difluoro-2-(2-methoxy-4-methylphenoxy)benzene has a molecular weight of 298.72 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1,3-difluoro-2-(2-methoxy-4-methylphenoxy)benzene is sourced from PubChem (CID 63075510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).