1-[1-chloro-3-(4-methoxyphenyl)propyl]-2,4-difluorobenzene

C16H15ClF2O — CID 63433827

IUPAC1-[1-chloro-3-(4-methoxyphenyl)propyl]-2,4-difluorobenzene
SMILESCOc1ccc(CCC(Cl)c2ccc(F)cc2F)cc1
InChIInChI=1S/C16H15ClF2O/c1-20-13-6-2-11(3-7-13)4-9-15(17)14-8-5-12(18)10-16(14)19/h2-3,5-8,10,15H,4,9H2,1H3
InChIKeyRVYAXUOKHQYJPY-UHFFFAOYSA-N
MW296.74 g/mol
LogP4.89
Rot. Bonds5

About 1-[1-chloro-3-(4-methoxyphenyl)propyl]-2,4-difluorobenzene

1-[1-chloro-3-(4-methoxyphenyl)propyl]-2,4-difluorobenzene (PubChem CID 63433827) has the molecular formula C16H15ClF2O and a molecular weight of 296.74 g/mol. Its IUPAC name is 1-[1-chloro-3-(4-methoxyphenyl)propyl]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-[1-chloro-3-(4-methoxyphenyl)propyl]-2,4-difluorobenzene
PubChem CID63433827
Molecular FormulaC16H15ClF2O
Molecular Weight296.74 g/mol
Exact Mass296.08
IUPAC Name1-[1-chloro-3-(4-methoxyphenyl)propyl]-2,4-difluorobenzene
SMILESCOc1ccc(CCC(Cl)c2ccc(F)cc2F)cc1
InChIInChI=1S/C16H15ClF2O/c1-20-13-6-2-11(3-7-13)4-9-15(17)14-8-5-12(18)10-16(14)19/h2-3,5-8,10,15H,4,9H2,1H3
InChIKeyRVYAXUOKHQYJPY-UHFFFAOYSA-N
XLogP4.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.74
LogP ≤ 54.89
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

1-[1-chloro-3-(4-methoxyphenyl)propyl]-2,4,5-trifluorobenzene
CID 103303705
2-chloro-1-[1-chloro-3-(4-methoxyphenyl)propyl]-4-methoxybenzene
CID 63434589
1-(2-chloro-5-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 105397498
[1-(2,5-difluorophenyl)-3-(4-methoxyphenyl)propyl]hydrazine
CID 105219321
1-(2,4-difluorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 43491085
1-(5-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 114886007
1-(1-chloro-3-methylbutyl)-2-fluoro-4-methoxybenzene
CID 61083473
1-(2-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 65444557
1-(1-chloro-3,3,3-trifluoropropyl)-2-fluoro-4-methoxybenzene
CID 61083870
1-bromo-4-[1-chloro-3-(4-methoxyphenyl)propyl]benzene
CID 55199636
1-[1-chloro-2-(3-methoxyphenyl)ethyl]-2-fluoro-4-methoxybenzene
CID 61084057
1-(2-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)ethanol
CID 63017689

Frequently Asked Questions

What is the IUPAC name of 1-[1-chloro-3-(4-methoxyphenyl)propyl]-2,4-difluorobenzene?
The IUPAC name of 1-[1-chloro-3-(4-methoxyphenyl)propyl]-2,4-difluorobenzene (CID 63433827) is 1-[1-chloro-3-(4-methoxyphenyl)propyl]-2,4-difluorobenzene.
What is the SMILES notation for 1-[1-chloro-3-(4-methoxyphenyl)propyl]-2,4-difluorobenzene?
The canonical SMILES for 1-[1-chloro-3-(4-methoxyphenyl)propyl]-2,4-difluorobenzene is COc1ccc(CCC(Cl)c2ccc(F)cc2F)cc1.
What is the InChIKey of 1-[1-chloro-3-(4-methoxyphenyl)propyl]-2,4-difluorobenzene?
The InChIKey is RVYAXUOKHQYJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2O/c1-20-13-6-2-11(3-7-13)4-9-15(17)14-8-5-12(18)10-16(14)19/h2-3,5-8,10,15H,4,9H2,1H3.
What are the key properties of 1-[1-chloro-3-(4-methoxyphenyl)propyl]-2,4-difluorobenzene?
1-[1-chloro-3-(4-methoxyphenyl)propyl]-2,4-difluorobenzene has a molecular weight of 296.74 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-chloro-3-(4-methoxyphenyl)propyl]-2,4-difluorobenzene is sourced from PubChem (CID 63433827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).