1-[[2-(chloromethyl)-4-methylphenoxy]methyl]-2,3-difluorobenzene

C15H13ClF2O — CID 55224386

IUPAC1-[[2-(chloromethyl)-4-methylphenoxy]methyl]-2,3-difluorobenzene
SMILESCc1ccc(OCc2cccc(F)c2F)c(CCl)c1
InChIInChI=1S/C15H13ClF2O/c1-10-5-6-14(12(7-10)8-16)19-9-11-3-2-4-13(17)15(11)18/h2-7H,8-9H2,1H3
InChIKeyQQYOWFAFPZRKRU-UHFFFAOYSA-N
MW282.72 g/mol
LogP4.59
Rot. Bonds4

About 1-[[2-(chloromethyl)-4-methylphenoxy]methyl]-2,3-difluorobenzene

1-[[2-(chloromethyl)-4-methylphenoxy]methyl]-2,3-difluorobenzene (PubChem CID 55224386) has the molecular formula C15H13ClF2O and a molecular weight of 282.72 g/mol. Its IUPAC name is 1-[[2-(chloromethyl)-4-methylphenoxy]methyl]-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[[2-(chloromethyl)-4-methylphenoxy]methyl]-2,3-difluorobenzene
PubChem CID55224386
Molecular FormulaC15H13ClF2O
Molecular Weight282.72 g/mol
Exact Mass282.06
IUPAC Name1-[[2-(chloromethyl)-4-methylphenoxy]methyl]-2,3-difluorobenzene
SMILESCc1ccc(OCc2cccc(F)c2F)c(CCl)c1
InChIInChI=1S/C15H13ClF2O/c1-10-5-6-14(12(7-10)8-16)19-9-11-3-2-4-13(17)15(11)18/h2-7H,8-9H2,1H3
InChIKeyQQYOWFAFPZRKRU-UHFFFAOYSA-N
XLogP4.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.72
LogP ≤ 54.59
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

1-[[2-(chloromethyl)-4-methylphenoxy]methyl]naphthalene
CID 63536076
1,2-difluoro-3-[(2-fluoro-3-methylphenoxy)methyl]benzene
CID 107661926
2-(chloromethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene
CID 107698706
2-[[2-(chloromethyl)phenoxy]methyl]-1-methoxy-4-methylbenzene
CID 62161146
8-[[2-(chloromethyl)-4-methylphenoxy]methyl]quinoline
CID 63325423
1-[(2-chloro-3-fluorophenyl)methoxy]-2-(chloromethyl)-4-fluorobenzene
CID 107698873
1-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 43658765
1-[2-[(2,3-difluorophenyl)methoxy]-4-methylphenyl]-N-methylethanamine
CID 63640460
2-(chloromethyl)-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 63535402
1-[[4-(3-chloroprop-1-ynyl)-2-methylphenoxy]methyl]-2,3-difluorobenzene
CID 63418923
2-fluoro-1-[(2-methoxy-5-methylphenyl)methoxy]-3-methylbenzene
CID 107662038
[2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methanamine
CID 107114161

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(chloromethyl)-4-methylphenoxy]methyl]-2,3-difluorobenzene?
The IUPAC name of 1-[[2-(chloromethyl)-4-methylphenoxy]methyl]-2,3-difluorobenzene (CID 55224386) is 1-[[2-(chloromethyl)-4-methylphenoxy]methyl]-2,3-difluorobenzene.
What is the SMILES notation for 1-[[2-(chloromethyl)-4-methylphenoxy]methyl]-2,3-difluorobenzene?
The canonical SMILES for 1-[[2-(chloromethyl)-4-methylphenoxy]methyl]-2,3-difluorobenzene is Cc1ccc(OCc2cccc(F)c2F)c(CCl)c1.
What is the InChIKey of 1-[[2-(chloromethyl)-4-methylphenoxy]methyl]-2,3-difluorobenzene?
The InChIKey is QQYOWFAFPZRKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2O/c1-10-5-6-14(12(7-10)8-16)19-9-11-3-2-4-13(17)15(11)18/h2-7H,8-9H2,1H3.
What are the key properties of 1-[[2-(chloromethyl)-4-methylphenoxy]methyl]-2,3-difluorobenzene?
1-[[2-(chloromethyl)-4-methylphenoxy]methyl]-2,3-difluorobenzene has a molecular weight of 282.72 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(chloromethyl)-4-methylphenoxy]methyl]-2,3-difluorobenzene is sourced from PubChem (CID 55224386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).