1-chloro-2-[chloro-(5-chloro-2-fluorophenyl)methyl]-4,5-dimethoxybenzene

C15H12Cl3FO2 — CID 63433124

IUPAC1-chloro-2-[chloro-(5-chloro-2-fluorophenyl)methyl]-4,5-dimethoxybenzene
SMILESCOc1cc(Cl)c(C(Cl)c2cc(Cl)ccc2F)cc1OC
InChIInChI=1S/C15H12Cl3FO2/c1-20-13-6-9(11(17)7-14(13)21-2)15(18)10-5-8(16)3-4-12(10)19/h3-7,15H,1-2H3
InChIKeyIWICDFIZKIUXOR-UHFFFAOYSA-N
MW349.62 g/mol
LogP5.48
Rot. Bonds4

About 1-chloro-2-[chloro-(5-chloro-2-fluorophenyl)methyl]-4,5-dimethoxybenzene

1-chloro-2-[chloro-(5-chloro-2-fluorophenyl)methyl]-4,5-dimethoxybenzene (PubChem CID 63433124) has the molecular formula C15H12Cl3FO2 and a molecular weight of 349.62 g/mol. Its IUPAC name is 1-chloro-2-[chloro-(5-chloro-2-fluorophenyl)methyl]-4,5-dimethoxybenzene.

Molecular Properties

Compound Name1-chloro-2-[chloro-(5-chloro-2-fluorophenyl)methyl]-4,5-dimethoxybenzene
PubChem CID63433124
Molecular FormulaC15H12Cl3FO2
Molecular Weight349.62 g/mol
Exact Mass347.99
IUPAC Name1-chloro-2-[chloro-(5-chloro-2-fluorophenyl)methyl]-4,5-dimethoxybenzene
SMILESCOc1cc(Cl)c(C(Cl)c2cc(Cl)ccc2F)cc1OC
InChIInChI=1S/C15H12Cl3FO2/c1-20-13-6-9(11(17)7-14(13)21-2)15(18)10-5-8(16)3-4-12(10)19/h3-7,15H,1-2H3
InChIKeyIWICDFIZKIUXOR-UHFFFAOYSA-N
XLogP5.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.62
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-chloro-2-[chloro-(4-chloro-2-methoxyphenyl)methyl]-5-fluoro-4-methylbenzene
CID 81051129
1-chloro-2-[chloro-(2-fluoro-3-methylphenyl)methyl]-4,5-dimethoxybenzene
CID 81481475
1-[(2-bromo-4-fluorophenyl)-chloromethyl]-2-chloro-4,5-dimethoxybenzene
CID 63433300
4-chloro-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-fluorobenzene
CID 63434447
1-[chloro-(3-chloro-2-methylphenyl)methyl]-2-fluoro-4,5-dimethoxybenzene
CID 107099241
1-[chloro-(2,4-difluorophenyl)methyl]-2-fluoro-4,5-dimethoxybenzene
CID 62866237
1-[(4-bromophenyl)-chloromethyl]-2-chloro-4,5-dimethoxybenzene
CID 63432950
1-[bromo-(2-fluorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 63444828
(5-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61080574
1-bromo-2-[(2-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 107991493
1-[chloro-(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-4-methylbenzene
CID 104546404
1-[chloro-(2-fluorophenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 61084472

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[chloro-(5-chloro-2-fluorophenyl)methyl]-4,5-dimethoxybenzene?
The IUPAC name of 1-chloro-2-[chloro-(5-chloro-2-fluorophenyl)methyl]-4,5-dimethoxybenzene (CID 63433124) is 1-chloro-2-[chloro-(5-chloro-2-fluorophenyl)methyl]-4,5-dimethoxybenzene.
What is the SMILES notation for 1-chloro-2-[chloro-(5-chloro-2-fluorophenyl)methyl]-4,5-dimethoxybenzene?
The canonical SMILES for 1-chloro-2-[chloro-(5-chloro-2-fluorophenyl)methyl]-4,5-dimethoxybenzene is COc1cc(Cl)c(C(Cl)c2cc(Cl)ccc2F)cc1OC.
What is the InChIKey of 1-chloro-2-[chloro-(5-chloro-2-fluorophenyl)methyl]-4,5-dimethoxybenzene?
The InChIKey is IWICDFIZKIUXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3FO2/c1-20-13-6-9(11(17)7-14(13)21-2)15(18)10-5-8(16)3-4-12(10)19/h3-7,15H,1-2H3.
What are the key properties of 1-chloro-2-[chloro-(5-chloro-2-fluorophenyl)methyl]-4,5-dimethoxybenzene?
1-chloro-2-[chloro-(5-chloro-2-fluorophenyl)methyl]-4,5-dimethoxybenzene has a molecular weight of 349.62 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[chloro-(5-chloro-2-fluorophenyl)methyl]-4,5-dimethoxybenzene is sourced from PubChem (CID 63433124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).