5-[chloro-(4-chloro-3-fluorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene

C16H15Cl2FO — CID 107992162

IUPAC5-[chloro-(4-chloro-3-fluorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene
SMILESCOc1c(C)cc(C(Cl)c2ccc(Cl)c(F)c2)cc1C
InChIInChI=1S/C16H15Cl2FO/c1-9-6-12(7-10(2)16(9)20-3)15(18)11-4-5-13(17)14(19)8-11/h4-8,15H,1-3H3
InChIKeyYVKMIOAJKMWHBB-UHFFFAOYSA-N
MW313.20 g/mol
LogP5.43
Rot. Bonds3

About 5-[chloro-(4-chloro-3-fluorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene

5-[chloro-(4-chloro-3-fluorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene (PubChem CID 107992162) has the molecular formula C16H15Cl2FO and a molecular weight of 313.20 g/mol. Its IUPAC name is 5-[chloro-(4-chloro-3-fluorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene.

Molecular Properties

Compound Name5-[chloro-(4-chloro-3-fluorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene
PubChem CID107992162
Molecular FormulaC16H15Cl2FO
Molecular Weight313.20 g/mol
Exact Mass312.05
IUPAC Name5-[chloro-(4-chloro-3-fluorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene
SMILESCOc1c(C)cc(C(Cl)c2ccc(Cl)c(F)c2)cc1C
InChIInChI=1S/C16H15Cl2FO/c1-9-6-12(7-10(2)16(9)20-3)15(18)11-4-5-13(17)14(19)8-11/h4-8,15H,1-3H3
InChIKeyYVKMIOAJKMWHBB-UHFFFAOYSA-N
XLogP5.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.20
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-[chloro-(4-chloro-3-fluorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-4-[chloro-(3,4-dimethylphenyl)methyl]-2-fluorobenzene
CID 107991387
5-[chloro-(5-chloro-2-methylphenyl)methyl]-2-methoxy-1,3-dimethylbenzene
CID 83067906
2-[chloro-(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylthiophene
CID 107992088
1-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-4-chloro-2,5-difluorobenzene
CID 83046737
4-[chloro-(3,4-difluorophenyl)methyl]-1-fluoro-2-methylbenzene
CID 63431448
2-chloro-4-[chloro-(3-fluoro-4-methoxyphenyl)methyl]-1-fluorobenzene
CID 82879437
(4-chloro-3-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 114025071
5-[chloro-(4-methoxyphenyl)methyl]-1,2,3-trifluorobenzene
CID 55158103
(4-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107996089
4-chloro-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-fluorobenzene
CID 63434447
5-[(4-bromo-3-chlorophenyl)-chloromethyl]-2-fluoro-1,3-dimethylbenzene
CID 81308101
1-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 107992985

Frequently Asked Questions

What is the IUPAC name of 5-[chloro-(4-chloro-3-fluorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene?
The IUPAC name of 5-[chloro-(4-chloro-3-fluorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene (CID 107992162) is 5-[chloro-(4-chloro-3-fluorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene.
What is the SMILES notation for 5-[chloro-(4-chloro-3-fluorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene?
The canonical SMILES for 5-[chloro-(4-chloro-3-fluorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene is COc1c(C)cc(C(Cl)c2ccc(Cl)c(F)c2)cc1C.
What is the InChIKey of 5-[chloro-(4-chloro-3-fluorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene?
The InChIKey is YVKMIOAJKMWHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2FO/c1-9-6-12(7-10(2)16(9)20-3)15(18)11-4-5-13(17)14(19)8-11/h4-8,15H,1-3H3.
What are the key properties of 5-[chloro-(4-chloro-3-fluorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene?
5-[chloro-(4-chloro-3-fluorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene has a molecular weight of 313.20 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-(4-chloro-3-fluorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene is sourced from PubChem (CID 107992162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).