1-[4-(2-fluorophenoxy)butoxy]-2-methoxy-4-methylbenzene

C18H21FO3 — CID 2899565

IUPAC1-[4-(2-fluorophenoxy)butoxy]-2-methoxy-4-methylbenzene
SMILESCOc1cc(C)ccc1OCCCCOc1ccccc1F
InChIInChI=1S/C18H21FO3/c1-14-9-10-17(18(13-14)20-2)22-12-6-5-11-21-16-8-4-3-7-15(16)19/h3-4,7-10,13H,5-6,11-12H2,1-2H3
InChIKeyRHGLDHATYZRRQX-UHFFFAOYSA-N
MW304.36 g/mol
LogP4.38
Rot. Bonds8

About 1-[4-(2-fluorophenoxy)butoxy]-2-methoxy-4-methylbenzene

1-[4-(2-fluorophenoxy)butoxy]-2-methoxy-4-methylbenzene (PubChem CID 2899565) has the molecular formula C18H21FO3 and a molecular weight of 304.36 g/mol. Its IUPAC name is 1-[4-(2-fluorophenoxy)butoxy]-2-methoxy-4-methylbenzene.

Molecular Properties

Compound Name1-[4-(2-fluorophenoxy)butoxy]-2-methoxy-4-methylbenzene
PubChem CID2899565
Molecular FormulaC18H21FO3
Molecular Weight304.36 g/mol
Exact Mass304.15
IUPAC Name1-[4-(2-fluorophenoxy)butoxy]-2-methoxy-4-methylbenzene
SMILESCOc1cc(C)ccc1OCCCCOc1ccccc1F
InChIInChI=1S/C18H21FO3/c1-14-9-10-17(18(13-14)20-2)22-12-6-5-11-21-16-8-4-3-7-15(16)19/h3-4,7-10,13H,5-6,11-12H2,1-2H3
InChIKeyRHGLDHATYZRRQX-UHFFFAOYSA-N
XLogP4.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-fluorophenoxy)propyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18120320
1-(5-chloropentoxy)-2-methoxy-4-methylbenzene
CID 43348422
1-[2-[4-(2-methoxy-4-methylphenoxy)butoxy]phenyl]ethanone
CID 2899242
1-(3-chloropropoxy)-2-methoxy-4-methylbenzene
CID 23036323
1-[3-(2,4-dimethylphenoxy)propoxy]-2-methoxy-4-methylbenzene
CID 2284068
2-fluoro-N-[2-(2-methoxy-4-methylphenoxy)ethyl]benzamide
CID 113101791
2-bromo-1-[3-(2-methoxyphenoxy)propoxy]-4-methylbenzene
CID 2899283
1,2-dichloro-3-[3-(2-methoxy-4-methylphenoxy)propoxy]benzene
CID 2284407
1-[2-(bromomethyl)-3-fluorophenoxy]-2-methoxy-4-methylbenzene
CID 114065514
1-[2-[2-(2-bromophenoxy)ethoxy]ethoxy]-2-methoxy-4-methylbenzene
CID 2283053
1-chloro-2-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-methylbenzene
CID 2899624
6-(2-methoxy-4-methylphenoxy)hexan-2-one
CID 43793668

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenoxy)butoxy]-2-methoxy-4-methylbenzene?
The IUPAC name of 1-[4-(2-fluorophenoxy)butoxy]-2-methoxy-4-methylbenzene (CID 2899565) is 1-[4-(2-fluorophenoxy)butoxy]-2-methoxy-4-methylbenzene.
What is the SMILES notation for 1-[4-(2-fluorophenoxy)butoxy]-2-methoxy-4-methylbenzene?
The canonical SMILES for 1-[4-(2-fluorophenoxy)butoxy]-2-methoxy-4-methylbenzene is COc1cc(C)ccc1OCCCCOc1ccccc1F.
What is the InChIKey of 1-[4-(2-fluorophenoxy)butoxy]-2-methoxy-4-methylbenzene?
The InChIKey is RHGLDHATYZRRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO3/c1-14-9-10-17(18(13-14)20-2)22-12-6-5-11-21-16-8-4-3-7-15(16)19/h3-4,7-10,13H,5-6,11-12H2,1-2H3.
What are the key properties of 1-[4-(2-fluorophenoxy)butoxy]-2-methoxy-4-methylbenzene?
1-[4-(2-fluorophenoxy)butoxy]-2-methoxy-4-methylbenzene has a molecular weight of 304.36 g/mol, XLogP of 4.38, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenoxy)butoxy]-2-methoxy-4-methylbenzene is sourced from PubChem (CID 2899565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).