1-chloro-2-[1-chloro-2-(4-methoxyphenyl)ethyl]-3-fluorobenzene

C15H13Cl2FO — CID 63520420

IUPAC1-chloro-2-[1-chloro-2-(4-methoxyphenyl)ethyl]-3-fluorobenzene
SMILESCOc1ccc(CC(Cl)c2c(F)cccc2Cl)cc1
InChIInChI=1S/C15H13Cl2FO/c1-19-11-7-5-10(6-8-11)9-13(17)15-12(16)3-2-4-14(15)18/h2-8,13H,9H2,1H3
InChIKeyOXEIKENLHWTSNX-UHFFFAOYSA-N
MW299.17 g/mol
LogP5.01
Rot. Bonds4

About 1-chloro-2-[1-chloro-2-(4-methoxyphenyl)ethyl]-3-fluorobenzene

1-chloro-2-[1-chloro-2-(4-methoxyphenyl)ethyl]-3-fluorobenzene (PubChem CID 63520420) has the molecular formula C15H13Cl2FO and a molecular weight of 299.17 g/mol. Its IUPAC name is 1-chloro-2-[1-chloro-2-(4-methoxyphenyl)ethyl]-3-fluorobenzene.

Molecular Properties

Compound Name1-chloro-2-[1-chloro-2-(4-methoxyphenyl)ethyl]-3-fluorobenzene
PubChem CID63520420
Molecular FormulaC15H13Cl2FO
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name1-chloro-2-[1-chloro-2-(4-methoxyphenyl)ethyl]-3-fluorobenzene
SMILESCOc1ccc(CC(Cl)c2c(F)cccc2Cl)cc1
InChIInChI=1S/C15H13Cl2FO/c1-19-11-7-5-10(6-8-11)9-13(17)15-12(16)3-2-4-14(15)18/h2-8,13H,9H2,1H3
InChIKeyOXEIKENLHWTSNX-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-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,3-difluorobenzene
CID 55149547
1-(2,6-dichlorophenyl)-2-(4-methoxyphenyl)ethanol
CID 63018440
1-chloro-2-[1-chloro-2-(4-nitrophenyl)ethyl]-3-fluorobenzene
CID 63518677
1-chloro-2-[2-chloro-4-(4-methoxyphenyl)butyl]-3-fluorobenzene
CID 63518991
2-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-1,3-difluoro-5-methoxybenzene
CID 63427176
1-chloro-2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]-3-fluorobenzene
CID 65433307
1-chloro-2-[chloro-[4-(2-methylpropyl)phenyl]methyl]-3-fluorobenzene
CID 63431072
1-(2-chloro-6-fluorophenyl)-2-(4-chlorophenyl)ethanol
CID 63016942
[1-(2-chloro-6-fluorophenyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105295289
2-[1-chloro-2-(3-fluorophenyl)ethyl]-1,3-difluoro-5-methoxybenzene
CID 63427344
1-chloro-2-[2-chloro-2-(2-fluoro-4-methoxyphenyl)ethyl]-3-fluorobenzene
CID 63434219
1-[1-chloro-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene
CID 55149546

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[1-chloro-2-(4-methoxyphenyl)ethyl]-3-fluorobenzene?
The IUPAC name of 1-chloro-2-[1-chloro-2-(4-methoxyphenyl)ethyl]-3-fluorobenzene (CID 63520420) is 1-chloro-2-[1-chloro-2-(4-methoxyphenyl)ethyl]-3-fluorobenzene.
What is the SMILES notation for 1-chloro-2-[1-chloro-2-(4-methoxyphenyl)ethyl]-3-fluorobenzene?
The canonical SMILES for 1-chloro-2-[1-chloro-2-(4-methoxyphenyl)ethyl]-3-fluorobenzene is COc1ccc(CC(Cl)c2c(F)cccc2Cl)cc1.
What is the InChIKey of 1-chloro-2-[1-chloro-2-(4-methoxyphenyl)ethyl]-3-fluorobenzene?
The InChIKey is OXEIKENLHWTSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FO/c1-19-11-7-5-10(6-8-11)9-13(17)15-12(16)3-2-4-14(15)18/h2-8,13H,9H2,1H3.
What are the key properties of 1-chloro-2-[1-chloro-2-(4-methoxyphenyl)ethyl]-3-fluorobenzene?
1-chloro-2-[1-chloro-2-(4-methoxyphenyl)ethyl]-3-fluorobenzene 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 1-chloro-2-[1-chloro-2-(4-methoxyphenyl)ethyl]-3-fluorobenzene is sourced from PubChem (CID 63520420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).