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

C14H11ClF2O — CID 114054766

IUPAC1-[2-(chloromethyl)-4-methylphenoxy]-2,4-difluorobenzene
SMILESCc1ccc(Oc2ccc(F)cc2F)c(CCl)c1
InChIInChI=1S/C14H11ClF2O/c1-9-2-4-13(10(6-9)8-15)18-14-5-3-11(16)7-12(14)17/h2-7H,8H2,1H3
InChIKeyLYHMNEWTCNZTBH-UHFFFAOYSA-N
MW268.69 g/mol
LogP4.80
Rot. Bonds3

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

1-[2-(chloromethyl)-4-methylphenoxy]-2,4-difluorobenzene (PubChem CID 114054766) has the molecular formula C14H11ClF2O and a molecular weight of 268.69 g/mol. Its IUPAC name is 1-[2-(chloromethyl)-4-methylphenoxy]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-[2-(chloromethyl)-4-methylphenoxy]-2,4-difluorobenzene
PubChem CID114054766
Molecular FormulaC14H11ClF2O
Molecular Weight268.69 g/mol
Exact Mass268.05
IUPAC Name1-[2-(chloromethyl)-4-methylphenoxy]-2,4-difluorobenzene
SMILESCc1ccc(Oc2ccc(F)cc2F)c(CCl)c1
InChIInChI=1S/C14H11ClF2O/c1-9-2-4-13(10(6-9)8-15)18-14-5-3-11(16)7-12(14)17/h2-7H,8H2,1H3
InChIKeyLYHMNEWTCNZTBH-UHFFFAOYSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.69
LogP ≤ 54.80
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

[2-(2,4-difluorophenoxy)-5-methylphenyl]methanamine
CID 114016683
2-(chloromethyl)-1-(5-fluoro-2-methylphenoxy)-4-methylbenzene
CID 114054837
1-[4-bromo-2-(chloromethyl)phenoxy]-2,4-difluorobenzene
CID 114061643
2-(chloromethyl)-4-fluoro-1-(5-fluoro-2-methylphenoxy)benzene
CID 102989965
2-(2,4-difluorophenoxy)-4-methylaniline
CID 10105468
2-(chloromethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene
CID 107698706
[2-(2-fluorophenoxy)-5-methylphenyl]methanol
CID 114054543
2-[4-(chloromethyl)-2-fluorophenoxy]-1-fluoro-4-methylbenzene
CID 64856384
2-(2,4-difluorophenoxy)-4-methylbenzonitrile
CID 62303313
1-[4-chloro-2-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene
CID 114846903
1-bromo-2,5-dichloro-4-[2-(chloromethyl)-4-methylphenoxy]benzene
CID 114054842
[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]methanol
CID 62673083

Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)-4-methylphenoxy]-2,4-difluorobenzene?
The IUPAC name of 1-[2-(chloromethyl)-4-methylphenoxy]-2,4-difluorobenzene (CID 114054766) is 1-[2-(chloromethyl)-4-methylphenoxy]-2,4-difluorobenzene.
What is the SMILES notation for 1-[2-(chloromethyl)-4-methylphenoxy]-2,4-difluorobenzene?
The canonical SMILES for 1-[2-(chloromethyl)-4-methylphenoxy]-2,4-difluorobenzene is Cc1ccc(Oc2ccc(F)cc2F)c(CCl)c1.
What is the InChIKey of 1-[2-(chloromethyl)-4-methylphenoxy]-2,4-difluorobenzene?
The InChIKey is LYHMNEWTCNZTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2O/c1-9-2-4-13(10(6-9)8-15)18-14-5-3-11(16)7-12(14)17/h2-7H,8H2,1H3.
What are the key properties of 1-[2-(chloromethyl)-4-methylphenoxy]-2,4-difluorobenzene?
1-[2-(chloromethyl)-4-methylphenoxy]-2,4-difluorobenzene has a molecular weight of 268.69 g/mol, XLogP of 4.80, 3 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]-2,4-difluorobenzene is sourced from PubChem (CID 114054766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).