2-(chloromethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene

C16H16ClFO — CID 107698706

IUPAC2-(chloromethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene
SMILESCc1ccc(C)c(COc2ccc(F)cc2CCl)c1
InChIInChI=1S/C16H16ClFO/c1-11-3-4-12(2)14(7-11)10-19-16-6-5-15(18)8-13(16)9-17/h3-8H,9-10H2,1-2H3
InChIKeyMSPQCNUGARNSGX-UHFFFAOYSA-N
MW278.75 g/mol
LogP4.76
Rot. Bonds4

About 2-(chloromethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene

2-(chloromethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene (PubChem CID 107698706) has the molecular formula C16H16ClFO and a molecular weight of 278.75 g/mol. Its IUPAC name is 2-(chloromethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene.

Molecular Properties

Compound Name2-(chloromethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene
PubChem CID107698706
Molecular FormulaC16H16ClFO
Molecular Weight278.75 g/mol
Exact Mass278.09
IUPAC Name2-(chloromethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene
SMILESCc1ccc(C)c(COc2ccc(F)cc2CCl)c1
InChIInChI=1S/C16H16ClFO/c1-11-3-4-12(2)14(7-11)10-19-16-6-5-15(18)8-13(16)9-17/h3-8H,9-10H2,1-2H3
InChIKeyMSPQCNUGARNSGX-UHFFFAOYSA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.75
LogP ≤ 54.76
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-[(2,5-dimethylphenyl)methoxy]-5-fluorophenyl]methanol
CID 107698577
2-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene
CID 107698949
2-(chloromethyl)-1-(5-fluoro-2-methylphenoxy)-4-methylbenzene
CID 114054837
1-[[2-(chloromethyl)-4-methylphenoxy]methyl]-2,3-difluorobenzene
CID 55224386
2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]-4-fluoro-1-methylbenzene
CID 105372168
2-[[2-(chloromethyl)phenoxy]methyl]-1-methoxy-4-methylbenzene
CID 62161146
[2-[(2-chloro-5-fluorophenyl)methoxy]-5-methylphenyl]methanol
CID 102616489
3-[2-[(5-fluoro-2-methylphenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol
CID 105374454
3-[2-[(2,5-dimethylphenyl)methoxy]-5-fluorophenyl]prop-2-yn-1-amine
CID 61482091
1,4-dimethyl-2-[(2-methylphenoxy)methyl]benzene
CID 60627928
1-[2-(chloromethyl)-4-methylphenoxy]-2,4-difluorobenzene
CID 114054766
1-[(2-chloro-4-fluorophenyl)methoxy]-2,4-dimethylbenzene
CID 60627601

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene?
The IUPAC name of 2-(chloromethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene (CID 107698706) is 2-(chloromethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene.
What is the SMILES notation for 2-(chloromethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene?
The canonical SMILES for 2-(chloromethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene is Cc1ccc(C)c(COc2ccc(F)cc2CCl)c1.
What is the InChIKey of 2-(chloromethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene?
The InChIKey is MSPQCNUGARNSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO/c1-11-3-4-12(2)14(7-11)10-19-16-6-5-15(18)8-13(16)9-17/h3-8H,9-10H2,1-2H3.
What are the key properties of 2-(chloromethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene?
2-(chloromethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene has a molecular weight of 278.75 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene is sourced from PubChem (CID 107698706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).