2-chloro-1-[chloro-(4-methoxyphenyl)methyl]-4-fluorobenzene

C14H11Cl2FO — CID 63429186

IUPAC2-chloro-1-[chloro-(4-methoxyphenyl)methyl]-4-fluorobenzene
SMILESCOc1ccc(C(Cl)c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C14H11Cl2FO/c1-18-11-5-2-9(3-6-11)14(16)12-7-4-10(17)8-13(12)15/h2-8,14H,1H3
InChIKeyAGEOOVTWBOUJRA-UHFFFAOYSA-N
MW285.15 g/mol
LogP4.82
Rot. Bonds3

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

2-chloro-1-[chloro-(4-methoxyphenyl)methyl]-4-fluorobenzene (PubChem CID 63429186) has the molecular formula C14H11Cl2FO and a molecular weight of 285.15 g/mol. Its IUPAC name is 2-chloro-1-[chloro-(4-methoxyphenyl)methyl]-4-fluorobenzene.

Molecular Properties

Compound Name2-chloro-1-[chloro-(4-methoxyphenyl)methyl]-4-fluorobenzene
PubChem CID63429186
Molecular FormulaC14H11Cl2FO
Molecular Weight285.15 g/mol
Exact Mass284.02
IUPAC Name2-chloro-1-[chloro-(4-methoxyphenyl)methyl]-4-fluorobenzene
SMILESCOc1ccc(C(Cl)c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C14H11Cl2FO/c1-18-11-5-2-9(3-6-11)14(16)12-7-4-10(17)8-13(12)15/h2-8,14H,1H3
InChIKeyAGEOOVTWBOUJRA-UHFFFAOYSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.15
LogP ≤ 54.82
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-[chloro-(4-chlorophenyl)methyl]-4-fluorobenzene
CID 63429018
2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-methoxybenzene
CID 63434290
(1S)-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81367838
2-chloro-1-[chloro-(3,4-difluorophenyl)methyl]-4-methoxybenzene
CID 63434674
1-[(4-tert-butylphenyl)-chloromethyl]-2-chloro-4-methoxybenzene
CID 63434462
2-[chloro-(4-fluorophenyl)methyl]-1,4-dimethoxybenzene
CID 61085947
1-(2-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)ethanol
CID 63017689
N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methoxyaniline
CID 43766019
1-[(4-butylphenyl)-chloromethyl]-2-chloro-4-fluorobenzene
CID 63431388
[(2-chloro-5-fluorophenyl)-(4-methoxyphenyl)methyl]hydrazine
CID 105397726
2-chloro-1-[chloro-(3-chlorophenyl)methyl]-4-methoxybenzene
CID 63434425
1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-2-chloro-4-fluorobenzene
CID 63427282

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[chloro-(4-methoxyphenyl)methyl]-4-fluorobenzene?
The IUPAC name of 2-chloro-1-[chloro-(4-methoxyphenyl)methyl]-4-fluorobenzene (CID 63429186) is 2-chloro-1-[chloro-(4-methoxyphenyl)methyl]-4-fluorobenzene.
What is the SMILES notation for 2-chloro-1-[chloro-(4-methoxyphenyl)methyl]-4-fluorobenzene?
The canonical SMILES for 2-chloro-1-[chloro-(4-methoxyphenyl)methyl]-4-fluorobenzene is COc1ccc(C(Cl)c2ccc(F)cc2Cl)cc1.
What is the InChIKey of 2-chloro-1-[chloro-(4-methoxyphenyl)methyl]-4-fluorobenzene?
The InChIKey is AGEOOVTWBOUJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FO/c1-18-11-5-2-9(3-6-11)14(16)12-7-4-10(17)8-13(12)15/h2-8,14H,1H3.
What are the key properties of 2-chloro-1-[chloro-(4-methoxyphenyl)methyl]-4-fluorobenzene?
2-chloro-1-[chloro-(4-methoxyphenyl)methyl]-4-fluorobenzene has a molecular weight of 285.15 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[chloro-(4-methoxyphenyl)methyl]-4-fluorobenzene is sourced from PubChem (CID 63429186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).