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

C15H13Cl3O — CID 63434211

IUPAC2-chloro-1-[1-chloro-2-(3-chlorophenyl)ethyl]-4-methoxybenzene
SMILESCOc1ccc(C(Cl)Cc2cccc(Cl)c2)c(Cl)c1
InChIInChI=1S/C15H13Cl3O/c1-19-12-5-6-13(15(18)9-12)14(17)8-10-3-2-4-11(16)7-10/h2-7,9,14H,8H2,1H3
InChIKeyGIPGGALUQJFUNQ-UHFFFAOYSA-N
MW315.63 g/mol
LogP5.52
Rot. Bonds4

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

2-chloro-1-[1-chloro-2-(3-chlorophenyl)ethyl]-4-methoxybenzene (PubChem CID 63434211) has the molecular formula C15H13Cl3O and a molecular weight of 315.63 g/mol. Its IUPAC name is 2-chloro-1-[1-chloro-2-(3-chlorophenyl)ethyl]-4-methoxybenzene.

Molecular Properties

Compound Name2-chloro-1-[1-chloro-2-(3-chlorophenyl)ethyl]-4-methoxybenzene
PubChem CID63434211
Molecular FormulaC15H13Cl3O
Molecular Weight315.63 g/mol
Exact Mass314.00
IUPAC Name2-chloro-1-[1-chloro-2-(3-chlorophenyl)ethyl]-4-methoxybenzene
SMILESCOc1ccc(C(Cl)Cc2cccc(Cl)c2)c(Cl)c1
InChIInChI=1S/C15H13Cl3O/c1-19-12-5-6-13(15(18)9-12)14(17)8-10-3-2-4-11(16)7-10/h2-7,9,14H,8H2,1H3
InChIKeyGIPGGALUQJFUNQ-UHFFFAOYSA-N
XLogP5.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.63
LogP ≤ 55.52
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-(3-methoxyphenyl)ethyl]-4-methoxybenzene
CID 63434678
2-chloro-1-(1-chloro-2-phenylethyl)-4-methoxybenzene
CID 63434208
1-chloro-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4,5-dimethoxybenzene
CID 63432908
1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,4-dimethoxybenzene
CID 63441796
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-chloro-4-methoxybenzene
CID 63443659
1-[1-chloro-2-(3-methoxyphenyl)ethyl]-2-fluoro-4-methoxybenzene
CID 61084057
2-chloro-1-[chloro-(3-chlorophenyl)methyl]-4-methoxybenzene
CID 63434425
1-[1-bromo-2-(3-chlorophenyl)ethyl]-2-fluoro-4-methoxybenzene
CID 63443710
1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4,5-dimethoxybenzene
CID 63432399
2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-methoxybenzene
CID 63434335
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,4-dichlorobenzene
CID 63444300
2-chloro-1-[1-chloro-3-(4-methoxyphenyl)propyl]-4-methoxybenzene
CID 63434589

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[1-chloro-2-(3-chlorophenyl)ethyl]-4-methoxybenzene?
The IUPAC name of 2-chloro-1-[1-chloro-2-(3-chlorophenyl)ethyl]-4-methoxybenzene (CID 63434211) is 2-chloro-1-[1-chloro-2-(3-chlorophenyl)ethyl]-4-methoxybenzene.
What is the SMILES notation for 2-chloro-1-[1-chloro-2-(3-chlorophenyl)ethyl]-4-methoxybenzene?
The canonical SMILES for 2-chloro-1-[1-chloro-2-(3-chlorophenyl)ethyl]-4-methoxybenzene is COc1ccc(C(Cl)Cc2cccc(Cl)c2)c(Cl)c1.
What is the InChIKey of 2-chloro-1-[1-chloro-2-(3-chlorophenyl)ethyl]-4-methoxybenzene?
The InChIKey is GIPGGALUQJFUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3O/c1-19-12-5-6-13(15(18)9-12)14(17)8-10-3-2-4-11(16)7-10/h2-7,9,14H,8H2,1H3.
What are the key properties of 2-chloro-1-[1-chloro-2-(3-chlorophenyl)ethyl]-4-methoxybenzene?
2-chloro-1-[1-chloro-2-(3-chlorophenyl)ethyl]-4-methoxybenzene has a molecular weight of 315.63 g/mol, XLogP of 5.52, 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-(3-chlorophenyl)ethyl]-4-methoxybenzene is sourced from PubChem (CID 63434211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).