2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-methoxybenzene

C15H13Cl2FO — CID 63434335

IUPAC2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-methoxybenzene
SMILESCOc1ccc(C(Cl)Cc2ccccc2F)c(Cl)c1
InChIInChI=1S/C15H13Cl2FO/c1-19-11-6-7-12(14(17)9-11)13(16)8-10-4-2-3-5-15(10)18/h2-7,9,13H,8H2,1H3
InChIKeySDZSFAYBWJHQKG-UHFFFAOYSA-N
MW299.17 g/mol
LogP5.01
Rot. Bonds4

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

2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-methoxybenzene (PubChem CID 63434335) has the molecular formula C15H13Cl2FO and a molecular weight of 299.17 g/mol. Its IUPAC name is 2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-methoxybenzene.

Molecular Properties

Compound Name2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-methoxybenzene
PubChem CID63434335
Molecular FormulaC15H13Cl2FO
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-methoxybenzene
SMILESCOc1ccc(C(Cl)Cc2ccccc2F)c(Cl)c1
InChIInChI=1S/C15H13Cl2FO/c1-19-11-6-7-12(14(17)9-11)13(16)8-10-4-2-3-5-15(10)18/h2-7,9,13H,8H2,1H3
InChIKeySDZSFAYBWJHQKG-UHFFFAOYSA-N
XLogP5.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.17
LogP ≤ 55.01
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

2-chloro-1-(1-chloro-2-phenylethyl)-4-methoxybenzene
CID 63434208
4-bromo-2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]benzene
CID 63544049
1-chloro-2-[2-chloro-2-(2-fluoro-4-methoxyphenyl)ethyl]-3-fluorobenzene
CID 63434219
2-chloro-1-[1-chloro-2-(3-methoxyphenyl)ethyl]-4-methoxybenzene
CID 63434678
4-bromo-1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methoxybenzene
CID 115370094
2-(2-chlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 61080545
2-chloro-1-[1-chloro-2-(3-chlorophenyl)ethyl]-4-methoxybenzene
CID 63434211
1-[1-chloro-2-(3-methoxyphenyl)ethyl]-2-fluoro-4-methoxybenzene
CID 61084057
2-chloro-1-[1-chloro-3-(4-methoxyphenyl)propyl]-4-methoxybenzene
CID 63434589
1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene
CID 63543185
1,3-dichloro-2-[chloro-(2-fluoro-4-methoxyphenyl)methyl]benzene
CID 63434136
1-(1-chloro-3-methylbutyl)-2-fluoro-4-methoxybenzene
CID 61083473

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-methoxybenzene?
The IUPAC name of 2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-methoxybenzene (CID 63434335) is 2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-methoxybenzene.
What is the SMILES notation for 2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-methoxybenzene?
The canonical SMILES for 2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-methoxybenzene is COc1ccc(C(Cl)Cc2ccccc2F)c(Cl)c1.
What is the InChIKey of 2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-methoxybenzene?
The InChIKey is SDZSFAYBWJHQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FO/c1-19-11-6-7-12(14(17)9-11)13(16)8-10-4-2-3-5-15(10)18/h2-7,9,13H,8H2,1H3.
What are the key properties of 2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-methoxybenzene?
2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-methoxybenzene has a molecular weight of 299.17 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-methoxybenzene is sourced from PubChem (CID 63434335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).