1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-(2-methoxyethyl)benzene

C17H18ClFO — CID 61083521

IUPAC1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-(2-methoxyethyl)benzene
SMILESCOCCc1ccc(C(Cl)Cc2ccccc2F)cc1
InChIInChI=1S/C17H18ClFO/c1-20-11-10-13-6-8-14(9-7-13)16(18)12-15-4-2-3-5-17(15)19/h2-9,16H,10-12H2,1H3
InChIKeyLUCAYMZPVBUGHP-UHFFFAOYSA-N
MW292.78 g/mol
LogP4.54
Rot. Bonds6

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

1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-(2-methoxyethyl)benzene (PubChem CID 61083521) has the molecular formula C17H18ClFO and a molecular weight of 292.78 g/mol. Its IUPAC name is 1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-(2-methoxyethyl)benzene.

Molecular Properties

Compound Name1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-(2-methoxyethyl)benzene
PubChem CID61083521
Molecular FormulaC17H18ClFO
Molecular Weight292.78 g/mol
Exact Mass292.10
IUPAC Name1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-(2-methoxyethyl)benzene
SMILESCOCCc1ccc(C(Cl)Cc2ccccc2F)cc1
InChIInChI=1S/C17H18ClFO/c1-20-11-10-13-6-8-14(9-7-13)16(18)12-15-4-2-3-5-17(15)19/h2-9,16H,10-12H2,1H3
InChIKeyLUCAYMZPVBUGHP-UHFFFAOYSA-N
XLogP4.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.78
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[1-chloro-2-(2-fluorophenyl)ethyl]-4-(2-methoxyethyl)benzene?
The IUPAC name of 1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-(2-methoxyethyl)benzene (CID 61083521) is 1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-(2-methoxyethyl)benzene.
What is the SMILES notation for 1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-(2-methoxyethyl)benzene?
The canonical SMILES for 1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-(2-methoxyethyl)benzene is COCCc1ccc(C(Cl)Cc2ccccc2F)cc1.
What is the InChIKey of 1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-(2-methoxyethyl)benzene?
The InChIKey is LUCAYMZPVBUGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO/c1-20-11-10-13-6-8-14(9-7-13)16(18)12-15-4-2-3-5-17(15)19/h2-9,16H,10-12H2,1H3.
What are the key properties of 1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-(2-methoxyethyl)benzene?
1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-(2-methoxyethyl)benzene has a molecular weight of 292.78 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-(2-methoxyethyl)benzene is sourced from PubChem (CID 61083521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).