1-chloro-2-[chloro-(2,4-dimethylphenyl)methyl]-5-fluoro-4-methylbenzene

C16H15Cl2F — CID 81050811

IUPAC1-chloro-2-[chloro-(2,4-dimethylphenyl)methyl]-5-fluoro-4-methylbenzene
SMILESCc1ccc(C(Cl)c2cc(C)c(F)cc2Cl)c(C)c1
InChIInChI=1S/C16H15Cl2F/c1-9-4-5-12(10(2)6-9)16(18)13-7-11(3)15(19)8-14(13)17/h4-8,16H,1-3H3
InChIKeySQIREWXAZSPCOC-UHFFFAOYSA-N
MW297.20 g/mol
LogP5.73
Rot. Bonds2

About 1-chloro-2-[chloro-(2,4-dimethylphenyl)methyl]-5-fluoro-4-methylbenzene

1-chloro-2-[chloro-(2,4-dimethylphenyl)methyl]-5-fluoro-4-methylbenzene (PubChem CID 81050811) has the molecular formula C16H15Cl2F and a molecular weight of 297.20 g/mol. Its IUPAC name is 1-chloro-2-[chloro-(2,4-dimethylphenyl)methyl]-5-fluoro-4-methylbenzene.

Molecular Properties

Compound Name1-chloro-2-[chloro-(2,4-dimethylphenyl)methyl]-5-fluoro-4-methylbenzene
PubChem CID81050811
Molecular FormulaC16H15Cl2F
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name1-chloro-2-[chloro-(2,4-dimethylphenyl)methyl]-5-fluoro-4-methylbenzene
SMILESCc1ccc(C(Cl)c2cc(C)c(F)cc2Cl)c(C)c1
InChIInChI=1S/C16H15Cl2F/c1-9-4-5-12(10(2)6-9)16(18)13-7-11(3)15(19)8-14(13)17/h4-8,16H,1-3H3
InChIKeySQIREWXAZSPCOC-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.20
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]-2,5-difluorobenzene
CID 82771221
1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene
CID 106863202
1-[(2-bromo-5-methylphenyl)-chloromethyl]-2-chloro-4-fluoro-5-methylbenzene
CID 81116914
1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-dimethylbenzene
CID 106862883
(2-chloro-4-fluoro-5-methylphenyl)-(2,4-dimethylphenyl)methanamine
CID 81045582
(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanamine
CID 106861126
(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanol
CID 106862791
1-[(2-bromo-4-fluorophenyl)-chloromethyl]-2-chloro-4-fluoro-5-methylbenzene
CID 81051365
1-chloro-2-[chloro-(2,3-dimethylphenyl)methyl]-5-fluoro-4-methylbenzene
CID 81050426
1-chloro-2-[chloro-(4-chloro-2-methoxyphenyl)methyl]-5-fluoro-4-methylbenzene
CID 81051129
(2-chloro-4-fluoro-5-methylphenyl)-(2-fluoro-5-methylphenyl)methanol
CID 81045090
1-chloro-2-[chloro-(3-chloro-4-methylphenyl)methyl]-5-fluoro-4-methylbenzene
CID 81050182

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[chloro-(2,4-dimethylphenyl)methyl]-5-fluoro-4-methylbenzene?
The IUPAC name of 1-chloro-2-[chloro-(2,4-dimethylphenyl)methyl]-5-fluoro-4-methylbenzene (CID 81050811) is 1-chloro-2-[chloro-(2,4-dimethylphenyl)methyl]-5-fluoro-4-methylbenzene.
What is the SMILES notation for 1-chloro-2-[chloro-(2,4-dimethylphenyl)methyl]-5-fluoro-4-methylbenzene?
The canonical SMILES for 1-chloro-2-[chloro-(2,4-dimethylphenyl)methyl]-5-fluoro-4-methylbenzene is Cc1ccc(C(Cl)c2cc(C)c(F)cc2Cl)c(C)c1.
What is the InChIKey of 1-chloro-2-[chloro-(2,4-dimethylphenyl)methyl]-5-fluoro-4-methylbenzene?
The InChIKey is SQIREWXAZSPCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2F/c1-9-4-5-12(10(2)6-9)16(18)13-7-11(3)15(19)8-14(13)17/h4-8,16H,1-3H3.
What are the key properties of 1-chloro-2-[chloro-(2,4-dimethylphenyl)methyl]-5-fluoro-4-methylbenzene?
1-chloro-2-[chloro-(2,4-dimethylphenyl)methyl]-5-fluoro-4-methylbenzene has a molecular weight of 297.20 g/mol, XLogP of 5.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[chloro-(2,4-dimethylphenyl)methyl]-5-fluoro-4-methylbenzene is sourced from PubChem (CID 81050811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).