1-[3-chloro-1-(4-fluorophenyl)propoxy]-4-methoxybenzene

C16H16ClFO2 — CID 22225892

IUPAC1-[3-chloro-1-(4-fluorophenyl)propoxy]-4-methoxybenzene
SMILESCOc1ccc(OC(CCCl)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H16ClFO2/c1-19-14-6-8-15(9-7-14)20-16(10-11-17)12-2-4-13(18)5-3-12/h2-9,16H,10-11H2,1H3
InChIKeyOFNKLRYVDDAZLH-UHFFFAOYSA-N
MW294.75 g/mol
LogP4.58
Rot. Bonds6

About 1-[3-chloro-1-(4-fluorophenyl)propoxy]-4-methoxybenzene

1-[3-chloro-1-(4-fluorophenyl)propoxy]-4-methoxybenzene (PubChem CID 22225892) has the molecular formula C16H16ClFO2 and a molecular weight of 294.75 g/mol. Its IUPAC name is 1-[3-chloro-1-(4-fluorophenyl)propoxy]-4-methoxybenzene.

Molecular Properties

Compound Name1-[3-chloro-1-(4-fluorophenyl)propoxy]-4-methoxybenzene
PubChem CID22225892
Molecular FormulaC16H16ClFO2
Molecular Weight294.75 g/mol
Exact Mass294.08
IUPAC Name1-[3-chloro-1-(4-fluorophenyl)propoxy]-4-methoxybenzene
SMILESCOc1ccc(OC(CCCl)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H16ClFO2/c1-19-14-6-8-15(9-7-14)20-16(10-11-17)12-2-4-13(18)5-3-12/h2-9,16H,10-11H2,1H3
InChIKeyOFNKLRYVDDAZLH-UHFFFAOYSA-N
XLogP4.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-1-(4-fluorophenyl)propoxy]-4-methoxybenzene?
The IUPAC name of 1-[3-chloro-1-(4-fluorophenyl)propoxy]-4-methoxybenzene (CID 22225892) is 1-[3-chloro-1-(4-fluorophenyl)propoxy]-4-methoxybenzene.
What is the SMILES notation for 1-[3-chloro-1-(4-fluorophenyl)propoxy]-4-methoxybenzene?
The canonical SMILES for 1-[3-chloro-1-(4-fluorophenyl)propoxy]-4-methoxybenzene is COc1ccc(OC(CCCl)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[3-chloro-1-(4-fluorophenyl)propoxy]-4-methoxybenzene?
The InChIKey is OFNKLRYVDDAZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO2/c1-19-14-6-8-15(9-7-14)20-16(10-11-17)12-2-4-13(18)5-3-12/h2-9,16H,10-11H2,1H3.
What are the key properties of 1-[3-chloro-1-(4-fluorophenyl)propoxy]-4-methoxybenzene?
1-[3-chloro-1-(4-fluorophenyl)propoxy]-4-methoxybenzene has a molecular weight of 294.75 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-1-(4-fluorophenyl)propoxy]-4-methoxybenzene is sourced from PubChem (CID 22225892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).