4-chloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]-1-methoxybenzene

C15H13Cl2FO — CID 63542483

IUPAC4-chloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1C(Cl)Cc1cccc(F)c1
InChIInChI=1S/C15H13Cl2FO/c1-19-15-6-5-11(16)9-13(15)14(17)8-10-3-2-4-12(18)7-10/h2-7,9,14H,8H2,1H3
InChIKeyUCFLZCYMMRPGGF-UHFFFAOYSA-N
MW299.17 g/mol
LogP5.01
Rot. Bonds4

About 4-chloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]-1-methoxybenzene

4-chloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]-1-methoxybenzene (PubChem CID 63542483) has the molecular formula C15H13Cl2FO and a molecular weight of 299.17 g/mol. Its IUPAC name is 4-chloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]-1-methoxybenzene.

Molecular Properties

Compound Name4-chloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]-1-methoxybenzene
PubChem CID63542483
Molecular FormulaC15H13Cl2FO
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name4-chloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1C(Cl)Cc1cccc(F)c1
InChIInChI=1S/C15H13Cl2FO/c1-19-15-6-5-11(16)9-13(15)14(17)8-10-3-2-4-12(18)7-10/h2-7,9,14H,8H2,1H3
InChIKeyUCFLZCYMMRPGGF-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

1,4-dichloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]benzene
CID 63436776
2-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]-1,4-difluorobenzene
CID 61084129
4-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxybenzene
CID 63542851
2-[1-bromo-2-(3-fluorophenyl)ethyl]-4-chloro-1-fluorobenzene
CID 63543856
2-[1-chloro-2-(3-fluorophenyl)ethyl]-1,3-difluoro-5-methoxybenzene
CID 63427344
1-chloro-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4,5-dimethoxybenzene
CID 63432908
2-[1-bromo-2-(3-fluorophenyl)ethyl]-4-chloro-1-methylbenzene
CID 82890576
2-chloro-3-[1-chloro-2-(3-fluorophenyl)ethyl]furan
CID 106689750
1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4,5-dimethoxybenzene
CID 63432399
4-bromo-2-[1-chloro-2-(4-chlorophenyl)ethyl]-1-methoxybenzene
CID 63427444
1-[1-chloro-2-(3-fluorophenyl)ethyl]-3-methoxybenzene
CID 63016090
1-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-2-ol
CID 62608783

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]-1-methoxybenzene?
The IUPAC name of 4-chloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]-1-methoxybenzene (CID 63542483) is 4-chloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]-1-methoxybenzene.
What is the SMILES notation for 4-chloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]-1-methoxybenzene?
The canonical SMILES for 4-chloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]-1-methoxybenzene is COc1ccc(Cl)cc1C(Cl)Cc1cccc(F)c1.
What is the InChIKey of 4-chloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]-1-methoxybenzene?
The InChIKey is UCFLZCYMMRPGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FO/c1-19-15-6-5-11(16)9-13(15)14(17)8-10-3-2-4-12(18)7-10/h2-7,9,14H,8H2,1H3.
What are the key properties of 4-chloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]-1-methoxybenzene?
4-chloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]-1-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 4-chloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]-1-methoxybenzene is sourced from PubChem (CID 63542483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).