1-[4-chloro-3-(2-fluorophenyl)butoxy]-4-methoxybenzene

C17H18ClFO2 — CID 79438142

IUPAC1-[4-chloro-3-(2-fluorophenyl)butoxy]-4-methoxybenzene
SMILESCOc1ccc(OCCC(CCl)c2ccccc2F)cc1
InChIInChI=1S/C17H18ClFO2/c1-20-14-6-8-15(9-7-14)21-11-10-13(12-18)16-4-2-3-5-17(16)19/h2-9,13H,10-12H2,1H3
InChIKeyWEBUYZZJWAWNMA-UHFFFAOYSA-N
MW308.78 g/mol
LogP4.63
Rot. Bonds7

About 1-[4-chloro-3-(2-fluorophenyl)butoxy]-4-methoxybenzene

1-[4-chloro-3-(2-fluorophenyl)butoxy]-4-methoxybenzene (PubChem CID 79438142) has the molecular formula C17H18ClFO2 and a molecular weight of 308.78 g/mol. Its IUPAC name is 1-[4-chloro-3-(2-fluorophenyl)butoxy]-4-methoxybenzene.

Molecular Properties

Compound Name1-[4-chloro-3-(2-fluorophenyl)butoxy]-4-methoxybenzene
PubChem CID79438142
Molecular FormulaC17H18ClFO2
Molecular Weight308.78 g/mol
Exact Mass308.10
IUPAC Name1-[4-chloro-3-(2-fluorophenyl)butoxy]-4-methoxybenzene
SMILESCOc1ccc(OCCC(CCl)c2ccccc2F)cc1
InChIInChI=1S/C17H18ClFO2/c1-20-14-6-8-15(9-7-14)21-11-10-13(12-18)16-4-2-3-5-17(16)19/h2-9,13H,10-12H2,1H3
InChIKeyWEBUYZZJWAWNMA-UHFFFAOYSA-N
XLogP4.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-chloro-4-(4-methoxyphenoxy)butan-2-yl]-2-methylbenzene
CID 79424449
1-[1-chloro-4-[2-(2-methoxyethoxy)ethoxy]butan-2-yl]-2-fluorobenzene
CID 104568771
2-(2-fluorophenyl)-N-methyl-4-phenoxybutan-1-amine
CID 79439067
1-bromo-2-(1-chloro-4-phenoxybutan-2-yl)benzene
CID 79454248
2-(2-bromophenyl)-4-(4-methoxyphenoxy)butan-1-amine
CID 79436772
4-(3,4-dimethylphenoxy)-2-(2-fluorophenyl)butan-1-amine
CID 82138148
1-[3-(chloromethyl)pentoxy]-4-methoxybenzene
CID 66036581
1-(1-chloro-4-methylsulfonylbutan-2-yl)-2-fluorobenzene
CID 79454374
1-[1-chloro-4-(2-methoxyphenoxy)butan-2-yl]-2-methylbenzene
CID 79424438
4-(2-fluorophenoxy)-2-(4-methoxyphenyl)butan-1-amine
CID 82138375
1-(1-chloro-5-phenylpentan-2-yl)-2-fluorobenzene
CID 79454225
1-[3-chloro-2-(2-fluorophenyl)propyl]-2-fluoro-3-methoxybenzene
CID 104795544

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(2-fluorophenyl)butoxy]-4-methoxybenzene?
The IUPAC name of 1-[4-chloro-3-(2-fluorophenyl)butoxy]-4-methoxybenzene (CID 79438142) is 1-[4-chloro-3-(2-fluorophenyl)butoxy]-4-methoxybenzene.
What is the SMILES notation for 1-[4-chloro-3-(2-fluorophenyl)butoxy]-4-methoxybenzene?
The canonical SMILES for 1-[4-chloro-3-(2-fluorophenyl)butoxy]-4-methoxybenzene is COc1ccc(OCCC(CCl)c2ccccc2F)cc1.
What is the InChIKey of 1-[4-chloro-3-(2-fluorophenyl)butoxy]-4-methoxybenzene?
The InChIKey is WEBUYZZJWAWNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO2/c1-20-14-6-8-15(9-7-14)21-11-10-13(12-18)16-4-2-3-5-17(16)19/h2-9,13H,10-12H2,1H3.
What are the key properties of 1-[4-chloro-3-(2-fluorophenyl)butoxy]-4-methoxybenzene?
1-[4-chloro-3-(2-fluorophenyl)butoxy]-4-methoxybenzene has a molecular weight of 308.78 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(2-fluorophenyl)butoxy]-4-methoxybenzene is sourced from PubChem (CID 79438142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).