2-(6-chlorohexoxy)-4-fluoro-1-methylbenzene

C13H18ClFO — CID 102981403

IUPAC2-(6-chlorohexoxy)-4-fluoro-1-methylbenzene
SMILESCc1ccc(F)cc1OCCCCCCCl
InChIInChI=1S/C13H18ClFO/c1-11-6-7-12(15)10-13(11)16-9-5-3-2-4-8-14/h6-7,10H,2-5,8-9H2,1H3
InChIKeyPLZAJXQZIVOJJJ-UHFFFAOYSA-N
MW244.74 g/mol
LogP4.31
Rot. Bonds7

About 2-(6-chlorohexoxy)-4-fluoro-1-methylbenzene

2-(6-chlorohexoxy)-4-fluoro-1-methylbenzene (PubChem CID 102981403) has the molecular formula C13H18ClFO and a molecular weight of 244.74 g/mol. Its IUPAC name is 2-(6-chlorohexoxy)-4-fluoro-1-methylbenzene.

Molecular Properties

Compound Name2-(6-chlorohexoxy)-4-fluoro-1-methylbenzene
PubChem CID102981403
Molecular FormulaC13H18ClFO
Molecular Weight244.74 g/mol
Exact Mass244.10
IUPAC Name2-(6-chlorohexoxy)-4-fluoro-1-methylbenzene
SMILESCc1ccc(F)cc1OCCCCCCCl
InChIInChI=1S/C13H18ClFO/c1-11-6-7-12(15)10-13(11)16-9-5-3-2-4-8-14/h6-7,10H,2-5,8-9H2,1H3
InChIKeyPLZAJXQZIVOJJJ-UHFFFAOYSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.74
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(5-fluoro-2-methylphenoxy)hexane-1-thiol
CID 102988847
2-(5-chloropentoxy)-1,4-dimethylbenzene
CID 43168528
6-(5-fluoro-2-methylphenoxy)-N-propylhexan-1-amine
CID 102986433
N-ethyl-4-(5-fluoro-2-methylphenoxy)butan-1-amine
CID 102986467
3-(6-chlorohexoxy)-4-methylbenzonitrile
CID 107657561
2-(3-ethylsulfanylpropoxy)-4-fluoro-1-methylbenzene
CID 102975398
6-(5-fluoro-2-methylphenoxy)hexanehydrazide
CID 102987680
N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methoxyethanamine
CID 102987264
3-(5-fluoro-2-methylphenoxy)propanethioamide
CID 102981847
1-chloro-4-fluoro-2-octoxybenzene
CID 114264358
N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methylpropan-1-amine
CID 102986518
1,4-difluoro-2-hexoxybenzene
CID 23437312

Frequently Asked Questions

What is the IUPAC name of 2-(6-chlorohexoxy)-4-fluoro-1-methylbenzene?
The IUPAC name of 2-(6-chlorohexoxy)-4-fluoro-1-methylbenzene (CID 102981403) is 2-(6-chlorohexoxy)-4-fluoro-1-methylbenzene.
What is the SMILES notation for 2-(6-chlorohexoxy)-4-fluoro-1-methylbenzene?
The canonical SMILES for 2-(6-chlorohexoxy)-4-fluoro-1-methylbenzene is Cc1ccc(F)cc1OCCCCCCCl.
What is the InChIKey of 2-(6-chlorohexoxy)-4-fluoro-1-methylbenzene?
The InChIKey is PLZAJXQZIVOJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFO/c1-11-6-7-12(15)10-13(11)16-9-5-3-2-4-8-14/h6-7,10H,2-5,8-9H2,1H3.
What are the key properties of 2-(6-chlorohexoxy)-4-fluoro-1-methylbenzene?
2-(6-chlorohexoxy)-4-fluoro-1-methylbenzene has a molecular weight of 244.74 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chlorohexoxy)-4-fluoro-1-methylbenzene is sourced from PubChem (CID 102981403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).