4-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-fluoro-2-methylbenzene

C16H16ClFO — CID 63543003

IUPAC4-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-fluoro-2-methylbenzene
SMILESCOc1ccccc1CC(Cl)c1ccc(F)c(C)c1
InChIInChI=1S/C16H16ClFO/c1-11-9-12(7-8-15(11)18)14(17)10-13-5-3-4-6-16(13)19-2/h3-9,14H,10H2,1-2H3
InChIKeyFELHTWIVCOSYIR-UHFFFAOYSA-N
MW278.75 g/mol
LogP4.67
Rot. Bonds4

About 4-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-fluoro-2-methylbenzene

4-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-fluoro-2-methylbenzene (PubChem CID 63543003) has the molecular formula C16H16ClFO and a molecular weight of 278.75 g/mol. Its IUPAC name is 4-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-fluoro-2-methylbenzene.

Molecular Properties

Compound Name4-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-fluoro-2-methylbenzene
PubChem CID63543003
Molecular FormulaC16H16ClFO
Molecular Weight278.75 g/mol
Exact Mass278.09
IUPAC Name4-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-fluoro-2-methylbenzene
SMILESCOc1ccccc1CC(Cl)c1ccc(F)c(C)c1
InChIInChI=1S/C16H16ClFO/c1-11-9-12(7-8-15(11)18)14(17)10-13-5-3-4-6-16(13)19-2/h3-9,14H,10H2,1-2H3
InChIKeyFELHTWIVCOSYIR-UHFFFAOYSA-N
XLogP4.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.75
LogP ≤ 54.67
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

4-[1-chloro-2-(2-fluorophenyl)ethyl]-1-fluoro-2-methylbenzene
CID 63542318
1-(4-fluoro-3-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 55137062
1-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzene
CID 63543176
5-[1-chloro-2-(2-methoxyphenyl)ethyl]-1,3-benzodioxole
CID 63017209
1-(4-fluoro-3-methylphenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
CID 82315000
4-[1-bromo-2-(2-methoxyphenyl)ethyl]-1,2-difluorobenzene
CID 63440149
4-chloro-1-[1-chloro-2-(2-methoxyphenyl)ethyl]-2-methoxybenzene
CID 63542835
1-(2,4-difluoro-5-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 79724225
1-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 61078516
2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-methylthiophene
CID 102764766
5-[1-chloro-2-(2-methoxyphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 61084951
1-(3,4-difluorophenyl)-2-(2-methoxyphenyl)ethanol
CID 61089068

Frequently Asked Questions

What is the IUPAC name of 4-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-fluoro-2-methylbenzene?
The IUPAC name of 4-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-fluoro-2-methylbenzene (CID 63543003) is 4-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-fluoro-2-methylbenzene.
What is the SMILES notation for 4-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-fluoro-2-methylbenzene?
The canonical SMILES for 4-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-fluoro-2-methylbenzene is COc1ccccc1CC(Cl)c1ccc(F)c(C)c1.
What is the InChIKey of 4-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-fluoro-2-methylbenzene?
The InChIKey is FELHTWIVCOSYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO/c1-11-9-12(7-8-15(11)18)14(17)10-13-5-3-4-6-16(13)19-2/h3-9,14H,10H2,1-2H3.
What are the key properties of 4-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-fluoro-2-methylbenzene?
4-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-fluoro-2-methylbenzene has a molecular weight of 278.75 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-fluoro-2-methylbenzene is sourced from PubChem (CID 63543003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).